
     Program PHONON v.6.4.1 starts on 14Apr2019 at 22:28:55 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     2 processors

     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =       2

     Reading data from directory:
     ./tempdir/N_ab.save/
     Message from routine pw_readschema_file:
     failed retrieving input info from xml file, please check it

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want

               file N.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s)  2S renormalized
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     36                40719    10229    1940
     Max         274     106     37                40750    10246    1945
     Sum         547     211     73                81469    20475    3885
 
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     negative rho (up, down):  6.878E-05 0.000E+00


     Dynamical matrices for ( 8, 8, 1)  uniform grid of q-points
     (  21 q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2  -0.000000122   0.142095540   0.000000000
       3  -0.000000244   0.284191080   0.000000000
       4  -0.000000366   0.426286620   0.000000000
       5   0.000000488  -0.568382160   0.000000000
       6   0.123058164   0.071047664   0.000000000
       7   0.123058042   0.213143204   0.000000000
       8   0.123057920   0.355238744   0.000000000
       9   0.123057798   0.497334284   0.000000000
      10   0.123058652  -0.497334496   0.000000000
      11   0.123058530  -0.355238956   0.000000000
      12   0.123058408  -0.213143416   0.000000000
      13   0.246116329   0.142095329   0.000000000
      14   0.246116207   0.284190869   0.000000000
      15   0.246116085   0.426286409   0.000000000
      16   0.246115963   0.568381949   0.000000000
      17   0.246116817  -0.426286831   0.000000000
      18   0.369174493   0.213142993   0.000000000
      19   0.369174371   0.355238533   0.000000000
      20   0.369174249   0.497334073   0.000000000
      21  -0.492232658  -0.284190658   0.000000000

     Calculation of q =    0.0000000   0.0000000   0.0000000

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )
 
      3 Sym.Ops. (with q -> -q+G )


     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=    43  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A'  To be done

     Representation     4      1 modes -A'  To be done

     Representation     5      1 modes -A''  To be done

     Representation     6      1 modes -A''  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :     10.68s CPU     10.94s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =     2.1313E-01    -3.4694E-18

      iter #   1 total cpu time :    15.4 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.167E-04
 
     Pert. #  1: Fermi energy shift (Ry) =    -4.0811E-01    -8.6736E-19

      iter #   2 total cpu time :    19.8 secs   av.it.:  10.1
      thresh= 1.472E-03 alpha_mix =  0.700 |ddv_scf|^2 =  8.732E-04
 
     Pert. #  1: Fermi energy shift (Ry) =    -3.4487E-01     1.7347E-18

      iter #   3 total cpu time :    23.9 secs   av.it.:   8.9
      thresh= 2.955E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.382E-05
 
     Pert. #  1: Fermi energy shift (Ry) =    -1.1195E-01    -4.3368E-19

      iter #   4 total cpu time :    28.2 secs   av.it.:   9.7
      thresh= 3.718E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.699E-06
 
     Pert. #  1: Fermi energy shift (Ry) =    -8.4118E-02     1.0842E-19

      iter #   5 total cpu time :    32.4 secs   av.it.:   9.2
      thresh= 1.304E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.081E-08
 
     Pert. #  1: Fermi energy shift (Ry) =    -8.4885E-02    -2.7105E-20

      iter #   6 total cpu time :    36.7 secs   av.it.:   9.5
      thresh= 2.661E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.119E-09
 
     Pert. #  1: Fermi energy shift (Ry) =    -8.3112E-02     3.3881E-21

      iter #   7 total cpu time :    40.9 secs   av.it.:   9.4
      thresh= 3.345E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.680E-12
 
     Pert. #  1: Fermi energy shift (Ry) =    -8.3500E-02     1.0588E-22

      iter #   8 total cpu time :    45.2 secs   av.it.:   9.8
      thresh= 2.585E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.929E-13
 
     Pert. #  1: Fermi energy shift (Ry) =    -8.3551E-02    -1.0588E-22

      iter #   9 total cpu time :    49.4 secs   av.it.:   9.4
      thresh= 4.392E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.561E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =     2.1453E-01     0.0000E+00

      iter #   1 total cpu time :    54.3 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.171E-04
 
     Pert. #  1: Fermi energy shift (Ry) =    -4.0884E-01     0.0000E+00

      iter #   2 total cpu time :    58.6 secs   av.it.:  10.1
      thresh= 1.473E-03 alpha_mix =  0.700 |ddv_scf|^2 =  8.750E-04
 
     Pert. #  1: Fermi energy shift (Ry) =    -3.4082E-01     0.0000E+00

      iter #   3 total cpu time :    62.7 secs   av.it.:   8.9
      thresh= 2.958E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.383E-05
 
     Pert. #  1: Fermi energy shift (Ry) =    -1.0770E-01     0.0000E+00

      iter #   4 total cpu time :    67.0 secs   av.it.:   9.7
      thresh= 3.719E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.748E-06
 
     Pert. #  1: Fermi energy shift (Ry) =    -8.0421E-02     0.0000E+00

      iter #   5 total cpu time :    71.2 secs   av.it.:   9.2
      thresh= 1.322E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.363E-08
 
     Pert. #  1: Fermi energy shift (Ry) =    -8.1244E-02     0.0000E+00

      iter #   6 total cpu time :    75.4 secs   av.it.:   9.5
      thresh= 2.713E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.667E-10
 
     Pert. #  1: Fermi energy shift (Ry) =    -7.9415E-02     0.0000E+00

      iter #   7 total cpu time :    79.7 secs   av.it.:   9.5
      thresh= 2.769E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.481E-12
 
     Pert. #  1: Fermi energy shift (Ry) =    -7.9766E-02     0.0000E+00

      iter #   8 total cpu time :    84.0 secs   av.it.:   9.8
      thresh= 1.866E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.521E-14
 
     Pert. #  1: Fermi energy shift (Ry) =    -7.9820E-02     0.0000E+00

      iter #   9 total cpu time :    88.3 secs   av.it.:   9.5
      thresh= 3.086E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.827E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =     2.5465E-02     0.0000E+00

      iter #   1 total cpu time :    92.9 secs   av.it.:   6.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.246E-07
 
     Pert. #  1: Fermi energy shift (Ry) =     6.6211E-02     0.0000E+00

      iter #   2 total cpu time :    97.7 secs   av.it.:  11.9
      thresh= 4.740E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.514E-07
 
     Pert. #  1: Fermi energy shift (Ry) =     6.5531E-02     0.0000E+00

      iter #   3 total cpu time :   102.0 secs   av.it.:   9.7
      thresh= 3.891E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.157E-07
 
     Pert. #  1: Fermi energy shift (Ry) =     6.5110E-02     0.0000E+00

      iter #   4 total cpu time :   106.2 secs   av.it.:   9.4
      thresh= 3.401E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.906E-09
 
     Pert. #  1: Fermi energy shift (Ry) =     6.5239E-02     0.0000E+00

      iter #   5 total cpu time :   110.6 secs   av.it.:  10.0
      thresh= 8.892E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.492E-09
 
     Pert. #  1: Fermi energy shift (Ry) =     6.5066E-02     0.0000E+00

      iter #   6 total cpu time :   114.8 secs   av.it.:   9.1
      thresh= 5.909E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.238E-12
 
     Pert. #  1: Fermi energy shift (Ry) =     6.5014E-02     0.0000E+00

      iter #   7 total cpu time :   119.1 secs   av.it.:   9.9
      thresh= 2.498E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.097E-14
 
     Pert. #  1: Fermi energy shift (Ry) =     6.5038E-02     0.0000E+00

      iter #   8 total cpu time :   123.5 secs   av.it.:  10.1
      thresh= 2.024E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.880E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =    -4.3113E-02     1.0408E-17

      iter #   1 total cpu time :   128.1 secs   av.it.:   6.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.628E-07
 
     Pert. #  1: Fermi energy shift (Ry) =    -3.9673E-02     6.7763E-21

      iter #   2 total cpu time :   132.8 secs   av.it.:  11.4
      thresh= 8.141E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.046E-06
 
     Pert. #  1: Fermi energy shift (Ry) =    -4.5999E-02    -2.1684E-19

      iter #   3 total cpu time :   136.9 secs   av.it.:   9.0
      thresh= 1.430E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.545E-08
 
     Pert. #  1: Fermi energy shift (Ry) =    -6.4592E-02     5.4210E-20

      iter #   4 total cpu time :   141.3 secs   av.it.:  10.0
      thresh= 2.923E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.668E-08
 
     Pert. #  1: Fermi energy shift (Ry) =    -5.9177E-02    -2.7105E-20

      iter #   5 total cpu time :   145.7 secs   av.it.:   9.8
      thresh= 1.633E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.107E-09
 
     Pert. #  1: Fermi energy shift (Ry) =    -5.9924E-02     1.0164E-20

      iter #   6 total cpu time :   149.9 secs   av.it.:   9.2
      thresh= 9.004E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.215E-11
 
     Pert. #  1: Fermi energy shift (Ry) =    -6.0133E-02    -6.7763E-21

      iter #   7 total cpu time :   154.2 secs   av.it.:   9.8
      thresh= 4.706E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.200E-14
 
     Pert. #  1: Fermi energy shift (Ry) =    -6.0056E-02    -6.7763E-21

      iter #   8 total cpu time :   158.7 secs   av.it.:  10.3
      thresh= 1.789E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.800E-14
 
     Pert. #  1: Fermi energy shift (Ry) =    -6.0063E-02    -6.7763E-21

      iter #   9 total cpu time :   163.5 secs   av.it.:   9.5
      thresh= 1.673E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.095E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =     2.7756E-17    -3.0815E-33

      iter #   1 total cpu time :   168.1 secs   av.it.:   6.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.076E-07
 
     Pert. #  1: Fermi energy shift (Ry) =     1.7347E-18     7.5232E-37

      iter #   2 total cpu time :   172.9 secs   av.it.:  11.5
      thresh= 4.556E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.386E-08
 
     Pert. #  1: Fermi energy shift (Ry) =     3.4694E-18     9.4040E-38

      iter #   3 total cpu time :   177.2 secs   av.it.:  10.0
      thresh= 1.177E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.242E-10
 
     Pert. #  1: Fermi energy shift (Ry) =     3.4694E-18    -7.5232E-37

      iter #   4 total cpu time :   181.5 secs   av.it.:   9.9
      thresh= 2.290E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.276E-13
 
     Pert. #  1: Fermi energy shift (Ry) =     3.4694E-18    -1.8808E-37

      iter #   5 total cpu time :   186.1 secs   av.it.:  10.8
      thresh= 6.539E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.283E-14
 
     Pert. #  1: Fermi energy shift (Ry) =     3.4694E-18    -1.8808E-37

      iter #   6 total cpu time :   190.7 secs   av.it.:  10.7
      thresh= 1.133E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.881E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =    -2.7756E-17    -3.0815E-33

      iter #   1 total cpu time :   195.2 secs   av.it.:   6.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.787E-07
 
     Pert. #  1: Fermi energy shift (Ry) =    -1.7347E-18     1.5046E-36

      iter #   2 total cpu time :   200.0 secs   av.it.:  11.6
      thresh= 4.228E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.076E-08
 
     Pert. #  1: Fermi energy shift (Ry) =    -3.4694E-18     3.7616E-37

      iter #   3 total cpu time :   204.4 secs   av.it.:  10.1
      thresh= 1.037E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.979E-10
 
     Pert. #  1: Fermi energy shift (Ry) =    -3.4694E-18    -1.8808E-37

      iter #   4 total cpu time :   208.7 secs   av.it.:   9.8
      thresh= 2.231E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.299E-13
 
     Pert. #  1: Fermi energy shift (Ry) =    -3.4694E-18     4.7020E-38

      iter #   5 total cpu time :   213.3 secs   av.it.:  10.8
      thresh= 6.556E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.286E-14
 
     Pert. #  1: Fermi energy shift (Ry) =    -3.4694E-18     4.7020E-38

      iter #   6 total cpu time :   217.8 secs   av.it.:  10.7
      thresh= 1.134E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.867E-17

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.046453 [THz] =       1.549503 [cm-1]
     freq (    2) =       0.122867 [THz] =       4.098405 [cm-1]
     freq (    3) =       0.473042 [THz] =      15.778966 [cm-1]
     freq (    4) =      27.858427 [THz] =     929.257100 [cm-1]
     freq (    5) =      28.068391 [THz] =     936.260731 [cm-1]
     freq (    6) =      31.923760 [THz] =    1064.862005 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =          1.5  [cm-1]   --> A'              I+R
     freq (  2 -  2) =          4.1  [cm-1]   --> A''             I+R
     freq (  3 -  3) =         15.8  [cm-1]   --> A'              I+R
     freq (  4 -  4) =        929.3  [cm-1]   --> A''             I+R
     freq (  5 -  5) =        936.3  [cm-1]   --> A'              I+R
     freq (  6 -  6) =       1064.9  [cm-1]   --> A'              I+R

     Calculation of q =   -0.0000001   0.1420955   0.0000000

     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used

 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     37                40719    10227    2092
     Max         274     106     48                40750    10248    2095
     Sum         547     211     85                81469    20475    4187
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.27 MB

     Estimated total dynamical RAM >      82.55 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.6

     total cpu time spent up to now is       55.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.0000001   0.1420955   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10227 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :   4m38.79s CPU   4m47.95s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   298.6 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.349E-06

      iter #   2 total cpu time :   312.5 secs   av.it.:  11.1
      thresh= 1.830E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.790E-06

      iter #   3 total cpu time :   325.4 secs   av.it.:   9.8
      thresh= 2.606E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.310E-08

      iter #   4 total cpu time :   339.9 secs   av.it.:  11.8
      thresh= 1.520E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.391E-08

      iter #   5 total cpu time :   353.2 secs   av.it.:  10.6
      thresh= 1.546E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.135E-09

      iter #   6 total cpu time :   367.5 secs   av.it.:  11.6
      thresh= 3.369E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.060E-10

      iter #   7 total cpu time :   381.3 secs   av.it.:  11.0
      thresh= 1.749E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.465E-12

      iter #   8 total cpu time :   395.4 secs   av.it.:  11.3
      thresh= 1.210E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.161E-14

      iter #   9 total cpu time :   409.2 secs   av.it.:  11.2
      thresh= 2.040E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.340E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   421.0 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.155E-05

      iter #   2 total cpu time :   435.2 secs   av.it.:  11.6
      thresh= 3.398E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.284E-05

      iter #   3 total cpu time :   448.9 secs   av.it.:  10.7
      thresh= 4.779E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.663E-07

      iter #   4 total cpu time :   463.3 secs   av.it.:  11.7
      thresh= 6.829E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.532E-07

      iter #   5 total cpu time :   476.7 secs   av.it.:  10.6
      thresh= 6.732E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.646E-08

      iter #   6 total cpu time :   490.5 secs   av.it.:  11.1
      thresh= 1.283E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.586E-10

      iter #   7 total cpu time :   503.9 secs   av.it.:  10.7
      thresh= 2.566E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.233E-13

      iter #   8 total cpu time :   518.1 secs   av.it.:  11.5
      thresh= 6.506E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.914E-14

      iter #   9 total cpu time :   531.8 secs   av.it.:  11.0
      thresh= 2.986E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.918E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   543.5 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.209E-05

      iter #   2 total cpu time :   557.9 secs   av.it.:  11.6
      thresh= 3.477E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.507E-05

      iter #   3 total cpu time :   572.8 secs   av.it.:  10.7
      thresh= 5.007E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.837E-07

      iter #   4 total cpu time :   587.4 secs   av.it.:  11.9
      thresh= 6.195E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.203E-07

      iter #   5 total cpu time :   601.0 secs   av.it.:  10.6
      thresh= 7.213E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.636E-08

      iter #   6 total cpu time :   614.9 secs   av.it.:  11.1
      thresh= 1.279E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.413E-10

      iter #   7 total cpu time :   628.2 secs   av.it.:  10.7
      thresh= 2.532E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.149E-13

      iter #   8 total cpu time :   642.8 secs   av.it.:  11.6
      thresh= 4.636E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.652E-14

      iter #   9 total cpu time :   656.5 secs   av.it.:  11.0
      thresh= 2.579E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.807E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :   668.1 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.890E-05

      iter #   2 total cpu time :   681.5 secs   av.it.:  10.7
      thresh= 5.376E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.836E-05

      iter #   3 total cpu time :   694.1 secs   av.it.:   9.4
      thresh= 8.268E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.541E-08

      iter #   4 total cpu time :   708.1 secs   av.it.:  11.4
      thresh= 1.242E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.005E-09

      iter #   5 total cpu time :   721.8 secs   av.it.:  10.9
      thresh= 6.328E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.454E-09

      iter #   6 total cpu time :   735.9 secs   av.it.:  11.4
      thresh= 3.813E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.267E-10

      iter #   7 total cpu time :   749.7 secs   av.it.:  10.9
      thresh= 2.066E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.449E-12

      iter #   8 total cpu time :   763.9 secs   av.it.:  11.5
      thresh= 2.729E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.346E-12

      iter #   9 total cpu time :   777.7 secs   av.it.:  11.2
      thresh= 1.532E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.322E-14

      iter #  10 total cpu time :   791.7 secs   av.it.:  11.2
      thresh= 2.307E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.572E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :   802.9 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.194E-07

      iter #   2 total cpu time :   817.2 secs   av.it.:  11.6
      thresh= 8.482E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.139E-06

      iter #   3 total cpu time :   830.0 secs   av.it.:   9.8
      thresh= 1.067E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.127E-08

      iter #   4 total cpu time :   844.0 secs   av.it.:  11.3
      thresh= 1.458E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.881E-09

      iter #   5 total cpu time :   858.0 secs   av.it.:  11.3
      thresh= 7.669E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.675E-09

      iter #   6 total cpu time :   871.2 secs   av.it.:  10.5
      thresh= 4.093E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.666E-11

      iter #   7 total cpu time :   885.2 secs   av.it.:  11.3
      thresh= 8.756E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.298E-13

      iter #   8 total cpu time :   899.3 secs   av.it.:  11.4
      thresh= 7.279E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.506E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :   910.9 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.573E-05

      iter #   2 total cpu time :   924.4 secs   av.it.:  10.7
      thresh= 5.073E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.046E-05

      iter #   3 total cpu time :   936.9 secs   av.it.:   9.4
      thresh= 7.776E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.620E-08

      iter #   4 total cpu time :   952.0 secs   av.it.:  11.6
      thresh= 1.273E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.225E-09

      iter #   5 total cpu time :   965.9 secs   av.it.:  11.2
      thresh= 6.500E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.787E-09

      iter #   6 total cpu time :   980.9 secs   av.it.:  10.9
      thresh= 5.279E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.045E-11

      iter #   7 total cpu time :   994.8 secs   av.it.:  11.2
      thresh= 8.969E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.582E-12

      iter #   8 total cpu time :  1007.7 secs   av.it.:   9.9
      thresh= 2.363E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.066E-13

      iter #   9 total cpu time :  1022.0 secs   av.it.:  11.6
      thresh= 3.265E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.343E-14

      iter #  10 total cpu time :  1035.0 secs   av.it.:  10.1
      thresh= 2.312E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.794E-16

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1  -0.000000122   0.142095540   0.000000000
          2   0.123058286  -0.071047876   0.000000000
     In addition there is the -q list: 
          1   0.000000122  -0.142095540   0.000000000
          2  -0.123058286   0.071047876   0.000000000

     Diagonalizing the dynamical matrix

     q = (   -0.000000122   0.142095540   0.000000000 ) 

 **************************************************************************
     freq (    1) =       1.637111 [THz] =      54.608132 [cm-1]
     freq (    2) =       6.198195 [THz] =     206.749544 [cm-1]
     freq (    3) =       9.086181 [THz] =     303.082386 [cm-1]
     freq (    4) =      27.131659 [THz] =     905.014721 [cm-1]
     freq (    5) =      28.050247 [THz] =     935.655527 [cm-1]
     freq (    6) =      30.611709 [THz] =    1021.096716 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =         54.6  [cm-1]   --> A                  
     freq (  2 -  2) =        206.7  [cm-1]   --> A                  
     freq (  3 -  3) =        303.1  [cm-1]   --> A                  
     freq (  4 -  4) =        905.0  [cm-1]   --> A                  
     freq (  5 -  5) =        935.7  [cm-1]   --> A                  
     freq (  6 -  6) =       1021.1  [cm-1]   --> A                  

     Calculation of q =   -0.0000002   0.2841911   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2322
     Max         274     106     43                40750    10246    2335
     Sum         547     211     85                81469    20475    4657
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.55 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 24.9

     total cpu time spent up to now is      110.2 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.0000002   0.2841911   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :  17m44.21s CPU  18m24.53s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  1115.2 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.646E-06

      iter #   2 total cpu time :  1129.5 secs   av.it.:  11.8
      thresh= 1.283E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.456E-06

      iter #   3 total cpu time :  1142.6 secs   av.it.:  10.3
      thresh= 2.111E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.464E-08

      iter #   4 total cpu time :  1156.7 secs   av.it.:  11.4
      thresh= 1.861E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.431E-09

      iter #   5 total cpu time :  1171.5 secs   av.it.:  12.2
      thresh= 5.857E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.390E-09

      iter #   6 total cpu time :  1185.6 secs   av.it.:  11.6
      thresh= 4.888E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.021E-11

      iter #   7 total cpu time :  1200.2 secs   av.it.:  12.1
      thresh= 3.196E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.056E-13

      iter #   8 total cpu time :  1214.6 secs   av.it.:  11.8
      thresh= 4.534E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.175E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  1225.9 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.500E-06

      iter #   2 total cpu time :  1240.5 secs   av.it.:  12.0
      thresh= 1.581E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.864E-06

      iter #   3 total cpu time :  1254.1 secs   av.it.:  10.9
      thresh= 2.205E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.586E-07

      iter #   4 total cpu time :  1267.8 secs   av.it.:  10.9
      thresh= 3.982E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.444E-08

      iter #   5 total cpu time :  1281.9 secs   av.it.:  11.6
      thresh= 1.563E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.444E-09

      iter #   6 total cpu time :  1295.8 secs   av.it.:  11.4
      thresh= 8.027E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.917E-11

      iter #   7 total cpu time :  1309.7 secs   av.it.:  11.2
      thresh= 8.317E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.007E-12

      iter #   8 total cpu time :  1323.2 secs   av.it.:  10.8
      thresh= 1.004E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.411E-14

      iter #   9 total cpu time :  1337.6 secs   av.it.:  11.9
      thresh= 1.188E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.245E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  1349.0 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.800E-06

      iter #   2 total cpu time :  1363.5 secs   av.it.:  12.0
      thresh= 1.673E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.302E-06

      iter #   3 total cpu time :  1377.1 secs   av.it.:  10.8
      thresh= 2.510E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.174E-07

      iter #   4 total cpu time :  1390.9 secs   av.it.:  11.1
      thresh= 3.426E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.491E-08

      iter #   5 total cpu time :  1405.0 secs   av.it.:  11.6
      thresh= 1.578E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.999E-09

      iter #   6 total cpu time :  1419.0 secs   av.it.:  11.4
      thresh= 7.745E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.257E-11

      iter #   7 total cpu time :  1432.7 secs   av.it.:  11.1
      thresh= 8.519E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.084E-12

      iter #   8 total cpu time :  1446.4 secs   av.it.:  10.9
      thresh= 1.041E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.732E-14

      iter #   9 total cpu time :  1460.6 secs   av.it.:  11.8
      thresh= 1.653E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.110E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  1472.3 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.378E-05

      iter #   2 total cpu time :  1487.3 secs   av.it.:  11.6
      thresh= 3.712E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.580E-05

      iter #   3 total cpu time :  1501.8 secs   av.it.:  10.2
      thresh= 6.768E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.432E-08

      iter #   4 total cpu time :  1516.5 secs   av.it.:  12.0
      thresh= 2.105E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.393E-08

      iter #   5 total cpu time :  1530.9 secs   av.it.:  11.8
      thresh= 1.180E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.562E-09

      iter #   6 total cpu time :  1545.2 secs   av.it.:  11.6
      thresh= 5.062E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.561E-12

      iter #   7 total cpu time :  1559.7 secs   av.it.:  11.9
      thresh= 2.750E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.482E-12

      iter #   8 total cpu time :  1573.4 secs   av.it.:  10.8
      thresh= 1.217E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.968E-14

      iter #   9 total cpu time :  1587.8 secs   av.it.:  11.9
      thresh= 1.403E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.817E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  1598.9 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.575E-07

      iter #   2 total cpu time :  1613.9 secs   av.it.:  12.1
      thresh= 6.764E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.806E-07

      iter #   3 total cpu time :  1627.3 secs   av.it.:  10.5
      thresh= 8.835E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.372E-08

      iter #   4 total cpu time :  1640.9 secs   av.it.:  10.8
      thresh= 2.091E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.463E-10

      iter #   5 total cpu time :  1655.7 secs   av.it.:  12.2
      thresh= 2.909E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.172E-10

      iter #   6 total cpu time :  1670.0 secs   av.it.:  11.6
      thresh= 2.484E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.984E-12

      iter #   7 total cpu time :  1684.6 secs   av.it.:  12.0
      thresh= 2.233E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.851E-14

      iter #   8 total cpu time :  1699.2 secs   av.it.:  12.0
      thresh= 2.203E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.306E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  1710.9 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.231E-05

      iter #   2 total cpu time :  1725.4 secs   av.it.:  11.6
      thresh= 3.509E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.068E-05

      iter #   3 total cpu time :  1738.4 secs   av.it.:  10.2
      thresh= 6.378E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.452E-08

      iter #   4 total cpu time :  1753.1 secs   av.it.:  12.0
      thresh= 2.110E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.386E-08

      iter #   5 total cpu time :  1767.8 secs   av.it.:  11.9
      thresh= 1.177E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.239E-09

      iter #   6 total cpu time :  1781.9 secs   av.it.:  11.6
      thresh= 5.691E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.007E-12

      iter #   7 total cpu time :  1797.6 secs   av.it.:  12.0
      thresh= 2.830E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.284E-12

      iter #   8 total cpu time :  1811.3 secs   av.it.:  10.9
      thresh= 1.133E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.301E-14

      iter #   9 total cpu time :  1826.9 secs   av.it.:  11.8
      thresh= 1.141E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.251E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1  -0.000000244   0.284191080   0.000000000
          2   0.246116573  -0.142095751   0.000000000
     In addition there is the -q list: 
          1   0.000000244  -0.284191080   0.000000000
          2  -0.246116573   0.142095751   0.000000000

     Diagonalizing the dynamical matrix

     q = (   -0.000000244   0.284191080   0.000000000 ) 

 **************************************************************************
     freq (    1) =       5.272579 [THz] =     175.874303 [cm-1]
     freq (    2) =      11.279260 [THz] =     376.235624 [cm-1]
     freq (    3) =      16.796505 [THz] =     560.271115 [cm-1]
     freq (    4) =      25.142449 [THz] =     838.661837 [cm-1]
     freq (    5) =      26.098488 [THz] =     870.551863 [cm-1]
     freq (    6) =      30.085419 [THz] =    1003.541546 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        175.9  [cm-1]   --> A                  
     freq (  2 -  2) =        376.2  [cm-1]   --> A                  
     freq (  3 -  3) =        560.3  [cm-1]   --> A                  
     freq (  4 -  4) =        838.7  [cm-1]   --> A                  
     freq (  5 -  5) =        870.6  [cm-1]   --> A                  
     freq (  6 -  6) =       1003.5  [cm-1]   --> A                  

     Calculation of q =   -0.0000004   0.4262866   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2480
     Max         274     106     43                40750    10246    2503
     Sum         547     211     85                81469    20475    4983
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.56 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.3

     total cpu time spent up to now is      166.7 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.0000004   0.4262866   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :  30m27.34s CPU  31m38.19s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  1909.1 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.309E-07

      iter #   2 total cpu time :  1924.1 secs   av.it.:  12.3
      thresh= 9.116E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.356E-06

      iter #   3 total cpu time :  1938.9 secs   av.it.:  11.2
      thresh= 1.165E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.328E-08

      iter #   4 total cpu time :  1953.3 secs   av.it.:  11.7
      thresh= 2.308E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.684E-09

      iter #   5 total cpu time :  1968.4 secs   av.it.:  12.2
      thresh= 6.844E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.784E-09

      iter #   6 total cpu time :  1982.9 secs   av.it.:  11.7
      thresh= 4.224E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.242E-12

      iter #   7 total cpu time :  1998.1 secs   av.it.:  12.4
      thresh= 2.060E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.240E-14

      iter #   8 total cpu time :  2013.0 secs   av.it.:  12.1
      thresh= 3.040E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.518E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  2024.4 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.717E-07

      iter #   2 total cpu time :  2039.3 secs   av.it.:  12.2
      thresh= 9.336E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.157E-07

      iter #   3 total cpu time :  2053.6 secs   av.it.:  11.3
      thresh= 9.569E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.887E-08

      iter #   4 total cpu time :  2067.8 secs   av.it.:  11.3
      thresh= 3.144E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.255E-09

      iter #   5 total cpu time :  2082.6 secs   av.it.:  12.1
      thresh= 9.620E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.779E-09

      iter #   6 total cpu time :  2097.3 secs   av.it.:  11.8
      thresh= 5.272E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.376E-11

      iter #   7 total cpu time :  2112.2 secs   av.it.:  12.2
      thresh= 3.710E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.968E-13

      iter #   8 total cpu time :  2126.5 secs   av.it.:  11.4
      thresh= 7.725E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.402E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  2137.9 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.650E-07

      iter #   2 total cpu time :  2152.9 secs   av.it.:  12.2
      thresh= 9.823E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.265E-06

      iter #   3 total cpu time :  2167.1 secs   av.it.:  11.2
      thresh= 1.125E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.829E-08

      iter #   4 total cpu time :  2181.9 secs   av.it.:  11.5
      thresh= 2.798E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.068E-08

      iter #   5 total cpu time :  2196.7 secs   av.it.:  12.1
      thresh= 1.034E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.437E-09

      iter #   6 total cpu time :  2211.4 secs   av.it.:  11.8
      thresh= 4.936E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.277E-11

      iter #   7 total cpu time :  2226.3 secs   av.it.:  12.1
      thresh= 3.573E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.616E-13

      iter #   8 total cpu time :  2241.5 secs   av.it.:  11.4
      thresh= 7.494E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.261E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  2253.4 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.700E-06

      iter #   2 total cpu time :  2268.4 secs   av.it.:  12.2
      thresh= 2.387E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.353E-05

      iter #   3 total cpu time :  2282.4 secs   av.it.:  11.0
      thresh= 3.678E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.819E-08

      iter #   4 total cpu time :  2297.2 secs   av.it.:  12.0
      thresh= 3.134E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.584E-08

      iter #   5 total cpu time :  2312.0 secs   av.it.:  11.9
      thresh= 1.259E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.367E-09

      iter #   6 total cpu time :  2326.4 secs   av.it.:  11.7
      thresh= 3.697E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.802E-12

      iter #   7 total cpu time :  2341.4 secs   av.it.:  12.2
      thresh= 2.191E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.288E-13

      iter #   8 total cpu time :  2356.2 secs   av.it.:  12.1
      thresh= 3.588E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.516E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  2367.6 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.426E-07

      iter #   2 total cpu time :  2382.5 secs   av.it.:  12.3
      thresh= 5.853E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.553E-07

      iter #   3 total cpu time :  2397.0 secs   av.it.:  11.6
      thresh= 5.053E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.764E-08

      iter #   4 total cpu time :  2411.1 secs   av.it.:  11.2
      thresh= 2.601E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.720E-09

      iter #   5 total cpu time :  2426.3 secs   av.it.:  12.3
      thresh= 4.147E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.138E-09

      iter #   6 total cpu time :  2440.7 secs   av.it.:  11.6
      thresh= 3.373E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.877E-12

      iter #   7 total cpu time :  2455.8 secs   av.it.:  12.4
      thresh= 1.370E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.079E-13

      iter #   8 total cpu time :  2470.6 secs   av.it.:  12.0
      thresh= 3.285E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.419E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  2482.5 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.141E-06

      iter #   2 total cpu time :  2497.5 secs   av.it.:  12.2
      thresh= 2.267E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.207E-05

      iter #   3 total cpu time :  2511.9 secs   av.it.:  11.1
      thresh= 3.475E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.480E-08

      iter #   4 total cpu time :  2527.8 secs   av.it.:  12.0
      thresh= 3.079E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.668E-08

      iter #   5 total cpu time :  2542.4 secs   av.it.:  11.9
      thresh= 1.292E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.739E-09

      iter #   6 total cpu time :  2557.6 secs   av.it.:  11.7
      thresh= 4.170E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.514E-12

      iter #   7 total cpu time :  2573.1 secs   av.it.:  12.3
      thresh= 2.125E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.117E-13

      iter #   8 total cpu time :  2588.0 secs   av.it.:  12.2
      thresh= 3.342E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.318E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1  -0.000000366   0.426286620   0.000000000
          2   0.369174859  -0.213143627   0.000000000
     In addition there is the -q list: 
          1   0.000000366  -0.426286620   0.000000000
          2  -0.369174859   0.213143627   0.000000000

     Diagonalizing the dynamical matrix

     q = (   -0.000000366   0.426286620   0.000000000 ) 

 **************************************************************************
     freq (    1) =       9.550934 [THz] =     318.584858 [cm-1]
     freq (    2) =      14.691769 [THz] =     490.064653 [cm-1]
     freq (    3) =      21.111257 [THz] =     704.195725 [cm-1]
     freq (    4) =      22.911996 [THz] =     764.261913 [cm-1]
     freq (    5) =      23.765986 [THz] =     792.747968 [cm-1]
     freq (    6) =      30.780809 [THz] =    1026.737270 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        318.6  [cm-1]   --> A                  
     freq (  2 -  2) =        490.1  [cm-1]   --> A                  
     freq (  3 -  3) =        704.2  [cm-1]   --> A                  
     freq (  4 -  4) =        764.3  [cm-1]   --> A                  
     freq (  5 -  5) =        792.7  [cm-1]   --> A                  
     freq (  6 -  6) =       1026.7  [cm-1]   --> A                  

     Calculation of q =    0.0000005  -0.5683822   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2576
     Max         274     106     43                40750    10246    2601
     Sum         547     211     85                81469    20475    5177
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   148  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.57 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 24.7

     total cpu time spent up to now is      195.2 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000005  -0.5683822   0.0000000 )
 
      2 Sym.Ops. (with q -> -q+G )


     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   148  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :  42m 8.56s CPU  43m47.95s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  2634.0 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.810E-07

      iter #   2 total cpu time :  2642.1 secs   av.it.:  12.3
      thresh= 8.838E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.067E-07

      iter #   3 total cpu time :  2650.0 secs   av.it.:  11.8
      thresh= 8.407E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.325E-08

      iter #   4 total cpu time :  2657.9 secs   av.it.:  11.8
      thresh= 3.054E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.065E-08

      iter #   5 total cpu time :  2666.0 secs   av.it.:  12.0
      thresh= 1.032E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.670E-09

      iter #   6 total cpu time :  2673.8 secs   av.it.:  11.6
      thresh= 4.086E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.161E-11

      iter #   7 total cpu time :  2682.0 secs   av.it.:  12.3
      thresh= 3.407E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.723E-13

      iter #   8 total cpu time :  2690.0 secs   av.it.:  12.2
      thresh= 5.218E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.441E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  2696.4 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.275E-07

      iter #   2 total cpu time :  2704.3 secs   av.it.:  11.9
      thresh= 9.097E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.597E-07

      iter #   3 total cpu time :  2712.3 secs   av.it.:  11.9
      thresh= 5.096E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.037E-07

      iter #   4 total cpu time :  2720.0 secs   av.it.:  11.4
      thresh= 3.221E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.396E-09

      iter #   5 total cpu time :  2728.1 secs   av.it.:  12.0
      thresh= 3.737E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.632E-11

      iter #   6 total cpu time :  2736.1 secs   av.it.:  11.9
      thresh= 6.806E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.774E-11

      iter #   7 total cpu time :  2743.9 secs   av.it.:  11.6
      thresh= 4.212E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.853E-13

      iter #   8 total cpu time :  2751.9 secs   av.it.:  12.1
      thresh= 6.208E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.380E-14

      iter #   9 total cpu time :  2759.8 secs   av.it.:  11.5
      thresh= 1.175E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.980E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  2766.1 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.552E-07

      iter #   2 total cpu time :  2774.1 secs   av.it.:  11.9
      thresh= 8.690E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.454E-07

      iter #   3 total cpu time :  2782.0 secs   av.it.:  11.9
      thresh= 4.954E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.075E-08

      iter #   4 total cpu time :  2789.8 secs   av.it.:  11.4
      thresh= 3.013E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.372E-09

      iter #   5 total cpu time :  2797.9 secs   av.it.:  12.2
      thresh= 3.704E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.065E-10

      iter #   6 total cpu time :  2805.8 secs   av.it.:  11.8
      thresh= 1.751E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.189E-11

      iter #   7 total cpu time :  2813.6 secs   av.it.:  11.4
      thresh= 5.648E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.895E-13

      iter #   8 total cpu time :  2821.7 secs   av.it.:  12.0
      thresh= 4.353E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.097E-14

      iter #   9 total cpu time :  2829.4 secs   av.it.:  11.5
      thresh= 1.047E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.124E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  2836.0 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.793E-06

      iter #   2 total cpu time :  2844.3 secs   av.it.:  12.5
      thresh= 1.948E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.111E-06

      iter #   3 total cpu time :  2852.2 secs   av.it.:  11.6
      thresh= 2.472E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.648E-07

      iter #   4 total cpu time :  2860.1 secs   av.it.:  12.0
      thresh= 4.060E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.603E-08

      iter #   5 total cpu time :  2868.1 secs   av.it.:  11.7
      thresh= 1.613E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.576E-09

      iter #   6 total cpu time :  2876.0 secs   av.it.:  12.0
      thresh= 5.075E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.271E-12

      iter #   7 total cpu time :  2884.2 secs   av.it.:  12.5
      thresh= 2.504E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.537E-13

      iter #   8 total cpu time :  2892.4 secs   av.it.:  12.2
      thresh= 3.921E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.127E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  2898.6 secs   av.it.:   6.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.040E-07

      iter #   2 total cpu time :  2906.6 secs   av.it.:  11.9
      thresh= 6.356E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.560E-08

      iter #   3 total cpu time :  2914.8 secs   av.it.:  12.3
      thresh= 2.135E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.885E-08

      iter #   4 total cpu time :  2922.6 secs   av.it.:  11.8
      thresh= 2.210E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.722E-09

      iter #   5 total cpu time :  2930.6 secs   av.it.:  11.9
      thresh= 6.100E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.520E-10

      iter #   6 total cpu time :  2938.5 secs   av.it.:  11.6
      thresh= 2.742E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.478E-13

      iter #   7 total cpu time :  2946.6 secs   av.it.:  12.1
      thresh= 5.898E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.228E-14

      iter #   8 total cpu time :  2954.5 secs   av.it.:  12.1
      thresh= 1.797E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.734E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  2961.1 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.480E-06

      iter #   2 total cpu time :  2969.3 secs   av.it.:  12.4
      thresh= 1.866E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.461E-06

      iter #   3 total cpu time :  2977.1 secs   av.it.:  11.6
      thresh= 2.337E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.625E-07

      iter #   4 total cpu time :  2985.2 secs   av.it.:  12.0
      thresh= 4.031E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.032E-08

      iter #   5 total cpu time :  2993.1 secs   av.it.:  11.7
      thresh= 1.741E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.936E-09

      iter #   6 total cpu time :  3001.1 secs   av.it.:  12.0
      thresh= 5.418E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.273E-12

      iter #   7 total cpu time :  3009.4 secs   av.it.:  12.6
      thresh= 2.505E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.639E-13

      iter #   8 total cpu time :  3017.4 secs   av.it.:  12.2
      thresh= 4.049E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.043E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.000000488  -0.568382160   0.000000000
          2  -0.492233145   0.284191502   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000488  -0.568382160   0.000000000 ) 

 **************************************************************************
     freq (    1) =      11.999241 [THz] =     400.251581 [cm-1]
     freq (    2) =      15.960307 [THz] =     532.378532 [cm-1]
     freq (    3) =      19.486011 [THz] =     649.983374 [cm-1]
     freq (    4) =      22.952303 [THz] =     765.606418 [cm-1]
     freq (    5) =      24.246621 [THz] =     808.780236 [cm-1]
     freq (    6) =      31.106330 [THz] =    1037.595471 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        400.3  [cm-1]   --> A                  
     freq (  2 -  2) =        532.4  [cm-1]   --> A                  
     freq (  3 -  3) =        650.0  [cm-1]   --> A                  
     freq (  4 -  4) =        765.6  [cm-1]   --> A                  
     freq (  5 -  5) =        808.8  [cm-1]   --> A                  
     freq (  6 -  6) =       1037.6  [cm-1]   --> A                  

     Calculation of q =    0.1230582   0.0710477   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     36                40719    10229    2066
     Max         274     106     37                40750    10246    2085
     Sum         547     211     73                81469    20475    4151
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   156  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.27 MB

     Estimated total dynamical RAM >      82.55 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.0

     total cpu time spent up to now is      224.7 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1230582   0.0710477   0.0000000 )
 
      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   156  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A'  To be done

     Representation     4      1 modes -A'  To be done

     Representation     5      1 modes -A''  To be done

     Representation     6      1 modes -A''  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :  49m 6.45s CPU  50m58.29s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  3064.6 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.179E-05

      iter #   2 total cpu time :  3072.6 secs   av.it.:  11.4
      thresh= 3.433E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.424E-05

      iter #   3 total cpu time :  3080.1 secs   av.it.:  10.5
      thresh= 4.924E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.709E-07

      iter #   4 total cpu time :  3087.9 secs   av.it.:  11.1
      thresh= 8.191E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.256E-07

      iter #   5 total cpu time :  3095.2 secs   av.it.:   9.8
      thresh= 4.749E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.180E-08

      iter #   6 total cpu time :  3103.0 secs   av.it.:  10.9
      thresh= 1.087E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.724E-10

      iter #   7 total cpu time :  3110.6 secs   av.it.:  10.6
      thresh= 2.593E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.438E-13

      iter #   8 total cpu time :  3118.6 secs   av.it.:  11.6
      thresh= 3.792E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.167E-14

      iter #   9 total cpu time :  3126.5 secs   av.it.:  11.3
      thresh= 3.028E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.366E-14

      iter #  10 total cpu time :  3134.2 secs   av.it.:  10.8
      thresh= 2.714E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.867E-14

      iter #  11 total cpu time :  3141.7 secs   av.it.:  10.6
      thresh= 1.366E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.290E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  3148.5 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.217E-05

      iter #   2 total cpu time :  3156.4 secs   av.it.:  11.5
      thresh= 3.489E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.527E-05

      iter #   3 total cpu time :  3163.9 secs   av.it.:  10.5
      thresh= 5.027E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.307E-07

      iter #   4 total cpu time :  3171.8 secs   av.it.:  11.1
      thresh= 7.942E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.241E-07

      iter #   5 total cpu time :  3179.0 secs   av.it.:   9.8
      thresh= 4.733E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.163E-08

      iter #   6 total cpu time :  3186.9 secs   av.it.:  11.0
      thresh= 1.078E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.994E-10

      iter #   7 total cpu time :  3194.5 secs   av.it.:  10.7
      thresh= 2.645E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.323E-13

      iter #   8 total cpu time :  3202.6 secs   av.it.:  11.7
      thresh= 3.637E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.072E-13

      iter #   9 total cpu time :  3210.5 secs   av.it.:  11.3
      thresh= 3.274E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.356E-14

      iter #  10 total cpu time :  3218.1 secs   av.it.:  10.8
      thresh= 2.712E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.382E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  3224.8 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.777E-05

      iter #   2 total cpu time :  3232.3 secs   av.it.:  10.5
      thresh= 5.269E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.174E-05

      iter #   3 total cpu time :  3239.3 secs   av.it.:   9.4
      thresh= 7.858E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.990E-08

      iter #   4 total cpu time :  3247.3 secs   av.it.:  11.4
      thresh= 2.827E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.314E-08

      iter #   5 total cpu time :  3255.0 secs   av.it.:  10.7
      thresh= 2.305E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.846E-09

      iter #   6 total cpu time :  3262.7 secs   av.it.:  10.7
      thresh= 4.297E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.357E-11

      iter #   7 total cpu time :  3270.6 secs   av.it.:  11.4
      thresh= 3.684E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.162E-12

      iter #   8 total cpu time :  3277.7 secs   av.it.:   9.4
      thresh= 2.482E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.661E-13

      iter #   9 total cpu time :  3285.4 secs   av.it.:  10.9
      thresh= 6.051E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.118E-14

      iter #  10 total cpu time :  3292.9 secs   av.it.:  10.7
      thresh= 2.029E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.172E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  3299.6 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.817E-05

      iter #   2 total cpu time :  3307.1 secs   av.it.:  10.5
      thresh= 5.308E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.277E-05

      iter #   3 total cpu time :  3314.1 secs   av.it.:   9.4
      thresh= 7.923E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.545E-08

      iter #   4 total cpu time :  3322.1 secs   av.it.:  11.4
      thresh= 2.558E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.134E-08

      iter #   5 total cpu time :  3329.8 secs   av.it.:  10.8
      thresh= 2.033E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.679E-09

      iter #   6 total cpu time :  3337.6 secs   av.it.:  10.9
      thresh= 5.176E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.554E-11

      iter #   7 total cpu time :  3345.6 secs   av.it.:  11.5
      thresh= 3.942E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.240E-12

      iter #   8 total cpu time :  3352.7 secs   av.it.:   9.6
      thresh= 2.498E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.374E-13

      iter #   9 total cpu time :  3360.6 secs   av.it.:  11.3
      thresh= 3.707E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.602E-14

      iter #  10 total cpu time :  3367.9 secs   av.it.:  10.3
      thresh= 2.569E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.059E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  3374.6 secs   av.it.:   6.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.172E-07

      iter #   2 total cpu time :  3382.6 secs   av.it.:  11.6
      thresh= 4.660E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.415E-08

      iter #   3 total cpu time :  3389.9 secs   av.it.:  10.2
      thresh= 1.189E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.363E-10

      iter #   4 total cpu time :  3397.3 secs   av.it.:  10.3
      thresh= 2.522E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.029E-13

      iter #   5 total cpu time :  3405.2 secs   av.it.:  11.1
      thresh= 7.091E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.799E-14

      iter #   6 total cpu time :  3412.8 secs   av.it.:  10.7
      thresh= 1.673E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.931E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  3419.1 secs   av.it.:   6.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.883E-07

      iter #   2 total cpu time :  3427.1 secs   av.it.:  11.7
      thresh= 4.339E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.103E-08

      iter #   3 total cpu time :  3434.6 secs   av.it.:  10.3
      thresh= 1.050E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.911E-10

      iter #   4 total cpu time :  3441.9 secs   av.it.:  10.2
      thresh= 2.431E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.059E-13

      iter #   5 total cpu time :  3449.8 secs   av.it.:  11.1
      thresh= 7.113E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.805E-14

      iter #   6 total cpu time :  3457.4 secs   av.it.:  10.7
      thresh= 1.675E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.916E-17

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    1
     List of q in the star:
          1   0.123058164   0.071047664   0.000000000
     In addition there is the -q list: 
          1  -0.123058164  -0.071047664   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.123058164   0.071047664   0.000000000 ) 

 **************************************************************************
     freq (    1) =       1.757173 [THz] =      58.612990 [cm-1]
     freq (    2) =       6.014345 [THz] =     200.616944 [cm-1]
     freq (    3) =       9.509193 [THz] =     317.192550 [cm-1]
     freq (    4) =      26.969724 [THz] =     899.613142 [cm-1]
     freq (    5) =      28.443144 [THz] =     948.761176 [cm-1]
     freq (    6) =      30.229370 [THz] =    1008.343241 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =         58.6  [cm-1]   --> A'                 
     freq (  2 -  2) =        200.6  [cm-1]   --> A''                
     freq (  3 -  3) =        317.2  [cm-1]   --> A'                 
     freq (  4 -  4) =        899.6  [cm-1]   --> A''                
     freq (  5 -  5) =        948.8  [cm-1]   --> A'                 
     freq (  6 -  6) =       1008.3  [cm-1]   --> A'                 

     Calculation of q =    0.1230580   0.2131432   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2298
     Max         274     106     43                40750    10246    2311
     Sum         547     211     85                81469    20475    4609
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.55 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.4

     total cpu time spent up to now is      280.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1230580   0.2131432   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :  56m41.88s CPU  58m48.02s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  3538.7 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.132E-06

      iter #   2 total cpu time :  3553.1 secs   av.it.:  11.9
      thresh= 1.064E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.337E-06

      iter #   3 total cpu time :  3568.2 secs   av.it.:  10.2
      thresh= 1.827E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.220E-08

      iter #   4 total cpu time :  3582.1 secs   av.it.:  11.3
      thresh= 1.105E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.970E-10

      iter #   5 total cpu time :  3597.6 secs   av.it.:  12.1
      thresh= 2.995E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.034E-09

      iter #   6 total cpu time :  3611.4 secs   av.it.:  11.1
      thresh= 3.215E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.012E-11

      iter #   7 total cpu time :  3625.7 secs   av.it.:  11.3
      thresh= 3.181E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.345E-13

      iter #   8 total cpu time :  3640.2 secs   av.it.:  11.9
      thresh= 3.668E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.135E-14

      iter #   9 total cpu time :  3654.3 secs   av.it.:  11.6
      thresh= 1.065E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.121E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  3667.5 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.553E-06

      iter #   2 total cpu time :  3682.0 secs   av.it.:  11.9
      thresh= 1.885E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.041E-06

      iter #   3 total cpu time :  3695.8 secs   av.it.:  10.9
      thresh= 2.654E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.806E-07

      iter #   4 total cpu time :  3709.5 secs   av.it.:  10.9
      thresh= 4.250E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.973E-08

      iter #   5 total cpu time :  3723.8 secs   av.it.:  11.5
      thresh= 1.405E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.975E-09

      iter #   6 total cpu time :  3737.6 secs   av.it.:  11.2
      thresh= 9.987E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.352E-10

      iter #   7 total cpu time :  3751.4 secs   av.it.:  11.1
      thresh= 1.163E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.634E-13

      iter #   8 total cpu time :  3765.0 secs   av.it.:  11.0
      thresh= 8.737E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.451E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  3776.5 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.436E-06

      iter #   2 total cpu time :  3791.2 secs   av.it.:  11.9
      thresh= 1.854E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.639E-06

      iter #   3 total cpu time :  3804.9 secs   av.it.:  10.9
      thresh= 2.577E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.819E-07

      iter #   4 total cpu time :  3818.7 secs   av.it.:  11.0
      thresh= 4.265E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.903E-08

      iter #   5 total cpu time :  3832.8 secs   av.it.:  11.5
      thresh= 1.379E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.002E-08

      iter #   6 total cpu time :  3846.7 secs   av.it.:  11.2
      thresh= 1.001E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.408E-10

      iter #   7 total cpu time :  3860.4 secs   av.it.:  11.0
      thresh= 1.187E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.367E-13

      iter #   8 total cpu time :  3874.0 secs   av.it.:  11.0
      thresh= 8.583E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.817E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  3885.9 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.253E-05

      iter #   2 total cpu time :  3900.0 secs   av.it.:  11.4
      thresh= 3.540E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.143E-05

      iter #   3 total cpu time :  3913.1 secs   av.it.:  10.1
      thresh= 6.437E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.159E-08

      iter #   4 total cpu time :  3927.7 secs   av.it.:  12.0
      thresh= 1.469E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.891E-09

      iter #   5 total cpu time :  3943.6 secs   av.it.:  11.9
      thresh= 8.883E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.744E-09

      iter #   6 total cpu time :  3957.6 secs   av.it.:  11.3
      thresh= 6.119E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.601E-12

      iter #   7 total cpu time :  3973.0 secs   av.it.:  12.3
      thresh= 2.145E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.135E-12

      iter #   8 total cpu time :  3986.6 secs   av.it.:  10.9
      thresh= 1.065E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.889E-14

      iter #   9 total cpu time :  4000.9 secs   av.it.:  11.7
      thresh= 1.700E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.302E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  4012.3 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.259E-06

      iter #   2 total cpu time :  4026.5 secs   av.it.:  11.5
      thresh= 2.293E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.680E-05

      iter #   3 total cpu time :  4039.6 secs   av.it.:  10.1
      thresh= 4.099E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.106E-08

      iter #   4 total cpu time :  4053.9 secs   av.it.:  11.7
      thresh= 1.451E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.626E-09

      iter #   5 total cpu time :  4068.7 secs   av.it.:  12.1
      thresh= 6.021E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.169E-09

      iter #   6 total cpu time :  4082.7 secs   av.it.:  11.4
      thresh= 5.629E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.542E-12

      iter #   7 total cpu time :  4097.4 secs   av.it.:  11.9
      thresh= 2.923E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.195E-13

      iter #   8 total cpu time :  4110.9 secs   av.it.:  10.9
      thresh= 7.871E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.090E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  4122.7 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.680E-05

      iter #   2 total cpu time :  4136.7 secs   av.it.:  11.4
      thresh= 4.099E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.532E-05

      iter #   3 total cpu time :  4149.7 secs   av.it.:  10.1
      thresh= 7.438E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.270E-08

      iter #   4 total cpu time :  4164.3 secs   av.it.:  11.9
      thresh= 1.808E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.239E-09

      iter #   5 total cpu time :  4178.8 secs   av.it.:  11.9
      thresh= 9.612E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.043E-09

      iter #   6 total cpu time :  4192.8 secs   av.it.:  11.3
      thresh= 7.101E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.218E-12

      iter #   7 total cpu time :  4207.3 secs   av.it.:  11.8
      thresh= 2.867E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.539E-12

      iter #   8 total cpu time :  4220.5 secs   av.it.:  10.4
      thresh= 1.241E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.863E-14

      iter #   9 total cpu time :  4234.4 secs   av.it.:  11.2
      thresh= 1.692E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.870E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.123058042   0.213143204   0.000000000
          2   0.246116451  -0.000000211   0.000000000
     In addition there is the -q list: 
          1  -0.123058042  -0.213143204   0.000000000
          2  -0.246116451   0.000000211   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.123058042   0.213143204   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.179562 [THz] =     139.415168 [cm-1]
     freq (    2) =      10.750061 [THz] =     358.583429 [cm-1]
     freq (    3) =      14.828048 [THz] =     494.610438 [cm-1]
     freq (    4) =      25.560841 [THz] =     852.617879 [cm-1]
     freq (    5) =      27.602317 [THz] =     920.714173 [cm-1]
     freq (    6) =      29.076612 [THz] =     969.891394 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        139.4  [cm-1]   --> A                  
     freq (  2 -  2) =        358.6  [cm-1]   --> A                  
     freq (  3 -  3) =        494.6  [cm-1]   --> A                  
     freq (  4 -  4) =        852.6  [cm-1]   --> A                  
     freq (  5 -  5) =        920.7  [cm-1]   --> A                  
     freq (  6 -  6) =        969.9  [cm-1]   --> A                  

     Calculation of q =    0.1230579   0.3552387   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2458
     Max         274     106     43                40750    10246    2477
     Sum         547     211     85                81469    20475    4935
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.56 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.3

     total cpu time spent up to now is      335.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1230579   0.3552387   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      1h 9m CPU      1h11m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  4315.2 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.527E-07

      iter #   2 total cpu time :  4329.9 secs   av.it.:  12.3
      thresh= 5.938E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.491E-07

      iter #   3 total cpu time :  4344.5 secs   av.it.:  11.9
      thresh= 3.861E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.102E-08

      iter #   4 total cpu time :  4358.7 secs   av.it.:  11.5
      thresh= 2.665E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.676E-09

      iter #   5 total cpu time :  4373.3 secs   av.it.:  12.0
      thresh= 5.173E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.936E-09

      iter #   6 total cpu time :  4387.4 secs   av.it.:  11.4
      thresh= 4.400E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.815E-12

      iter #   7 total cpu time :  4401.8 secs   av.it.:  11.8
      thresh= 3.133E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.300E-14

      iter #   8 total cpu time :  4416.2 secs   av.it.:  11.9
      thresh= 2.510E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.159E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  4427.5 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.201E-06

      iter #   2 total cpu time :  4442.2 secs   av.it.:  12.1
      thresh= 1.096E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.763E-06

      iter #   3 total cpu time :  4456.0 secs   av.it.:  11.1
      thresh= 1.328E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.583E-08

      iter #   4 total cpu time :  4469.8 secs   av.it.:  11.1
      thresh= 3.096E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.709E-09

      iter #   5 total cpu time :  4484.6 secs   av.it.:  12.3
      thresh= 7.556E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.953E-09

      iter #   6 total cpu time :  4498.8 secs   av.it.:  11.6
      thresh= 6.287E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.800E-11

      iter #   7 total cpu time :  4513.0 secs   av.it.:  11.6
      thresh= 4.243E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.557E-13

      iter #   8 total cpu time :  4526.8 secs   av.it.:  11.1
      thresh= 8.097E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.008E-14

      iter #   9 total cpu time :  4540.7 secs   av.it.:  11.5
      thresh= 1.004E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.025E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  4552.1 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.224E-06

      iter #   2 total cpu time :  4566.7 secs   av.it.:  12.1
      thresh= 1.106E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.924E-06

      iter #   3 total cpu time :  4580.5 secs   av.it.:  11.1
      thresh= 1.387E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.536E-08

      iter #   4 total cpu time :  4594.5 secs   av.it.:  11.2
      thresh= 2.922E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.346E-09

      iter #   5 total cpu time :  4609.3 secs   av.it.:  12.3
      thresh= 7.312E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.767E-09

      iter #   6 total cpu time :  4623.9 secs   av.it.:  11.6
      thresh= 6.137E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.984E-11

      iter #   7 total cpu time :  4638.1 secs   av.it.:  11.6
      thresh= 4.455E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.449E-13

      iter #   8 total cpu time :  4652.7 secs   av.it.:  11.1
      thresh= 8.031E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.368E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  4664.3 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.700E-06

      iter #   2 total cpu time :  4678.9 secs   av.it.:  12.0
      thresh= 2.588E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.836E-05

      iter #   3 total cpu time :  4693.7 secs   av.it.:  10.7
      thresh= 4.285E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.685E-08

      iter #   4 total cpu time :  4708.1 secs   av.it.:  11.9
      thresh= 2.165E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.052E-09

      iter #   5 total cpu time :  4722.9 secs   av.it.:  12.3
      thresh= 7.108E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.352E-09

      iter #   6 total cpu time :  4737.1 secs   av.it.:  11.6
      thresh= 5.790E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.813E-12

      iter #   7 total cpu time :  4751.8 secs   av.it.:  12.1
      thresh= 1.677E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.040E-13

      iter #   8 total cpu time :  4766.0 secs   av.it.:  11.7
      thresh= 4.517E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.356E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  4777.3 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.392E-06

      iter #   2 total cpu time :  4792.0 secs   av.it.:  12.2
      thresh= 1.180E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.183E-06

      iter #   3 total cpu time :  4805.7 secs   av.it.:  10.9
      thresh= 1.784E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.099E-08

      iter #   4 total cpu time :  4819.8 secs   av.it.:  11.6
      thresh= 1.760E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.373E-09

      iter #   5 total cpu time :  4834.7 secs   av.it.:  12.3
      thresh= 6.613E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.183E-09

      iter #   6 total cpu time :  4848.8 secs   av.it.:  11.6
      thresh= 4.673E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.340E-12

      iter #   7 total cpu time :  4863.5 secs   av.it.:  12.0
      thresh= 1.828E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.940E-14

      iter #   8 total cpu time :  4877.8 secs   av.it.:  11.8
      thresh= 1.715E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.322E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  4889.5 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.739E-06

      iter #   2 total cpu time :  4904.1 secs   av.it.:  12.0
      thresh= 2.782E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.123E-05

      iter #   3 total cpu time :  4917.5 secs   av.it.:  10.8
      thresh= 4.608E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.285E-08

      iter #   4 total cpu time :  4932.0 secs   av.it.:  11.9
      thresh= 2.299E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.536E-09

      iter #   5 total cpu time :  4946.8 secs   av.it.:  12.3
      thresh= 8.681E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.680E-09

      iter #   6 total cpu time :  4961.4 secs   av.it.:  11.6
      thresh= 6.067E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.974E-12

      iter #   7 total cpu time :  4975.8 secs   av.it.:  12.0
      thresh= 2.444E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.765E-13

      iter #   8 total cpu time :  4990.4 secs   av.it.:  11.9
      thresh= 4.202E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.025E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.123057920   0.355238744   0.000000000
          2   0.369174737  -0.071048087   0.000000000
     In addition there is the -q list: 
          1  -0.123057920  -0.355238744   0.000000000
          2  -0.369174737   0.071048087   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.123057920   0.355238744   0.000000000 ) 

 **************************************************************************
     freq (    1) =       7.923820 [THz] =     264.310192 [cm-1]
     freq (    2) =      15.248118 [THz] =     508.622464 [cm-1]
     freq (    3) =      19.623910 [THz] =     654.583162 [cm-1]
     freq (    4) =      23.442568 [THz] =     781.959902 [cm-1]
     freq (    5) =      24.587614 [THz] =     820.154519 [cm-1]
     freq (    6) =      29.613060 [THz] =     987.785367 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        264.3  [cm-1]   --> A                  
     freq (  2 -  2) =        508.6  [cm-1]   --> A                  
     freq (  3 -  3) =        654.6  [cm-1]   --> A                  
     freq (  4 -  4) =        782.0  [cm-1]   --> A                  
     freq (  5 -  5) =        820.2  [cm-1]   --> A                  
     freq (  6 -  6) =        987.8  [cm-1]   --> A                  

     Calculation of q =    0.1230578   0.4973343   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2598
     Max         274     106     43                40750    10246    2627
     Sum         547     211     85                81469    20475    5225
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.57 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.4

     total cpu time spent up to now is      392.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1230578   0.4973343   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      1h21m CPU      1h24m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  5072.6 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.260E-07

      iter #   2 total cpu time :  5087.4 secs   av.it.:  12.5
      thresh= 7.253E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.060E-07

      iter #   3 total cpu time :  5102.2 secs   av.it.:  12.0
      thresh= 5.532E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.561E-08

      iter #   4 total cpu time :  5116.5 secs   av.it.:  11.8
      thresh= 2.750E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.987E-09

      iter #   5 total cpu time :  5131.1 secs   av.it.:  12.1
      thresh= 6.314E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.019E-09

      iter #   6 total cpu time :  5145.1 secs   av.it.:  11.4
      thresh= 4.493E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.346E-12

      iter #   7 total cpu time :  5160.0 secs   av.it.:  12.3
      thresh= 2.312E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.970E-14

      iter #   8 total cpu time :  5174.5 secs   av.it.:  12.1
      thresh= 3.158E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.203E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  5185.6 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.069E-07

      iter #   2 total cpu time :  5200.3 secs   av.it.:  12.2
      thresh= 7.790E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.539E-07

      iter #   3 total cpu time :  5214.6 secs   av.it.:  11.7
      thresh= 5.949E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.000E-08

      iter #   4 total cpu time :  5228.7 secs   av.it.:  11.4
      thresh= 2.829E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.605E-09

      iter #   5 total cpu time :  5243.4 secs   av.it.:  12.3
      thresh= 6.005E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.123E-09

      iter #   6 total cpu time :  5257.7 secs   av.it.:  11.7
      thresh= 4.607E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.315E-11

      iter #   7 total cpu time :  5272.5 secs   av.it.:  12.2
      thresh= 3.627E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.256E-13

      iter #   8 total cpu time :  5286.8 secs   av.it.:  11.8
      thresh= 5.707E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.790E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  5298.0 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.066E-07

      iter #   2 total cpu time :  5312.8 secs   av.it.:  12.2
      thresh= 7.788E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.920E-07

      iter #   3 total cpu time :  5326.9 secs   av.it.:  11.6
      thresh= 6.261E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.837E-08

      iter #   4 total cpu time :  5341.5 secs   av.it.:  11.5
      thresh= 2.799E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.994E-09

      iter #   5 total cpu time :  5356.3 secs   av.it.:  12.3
      thresh= 6.320E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.188E-09

      iter #   6 total cpu time :  5370.5 secs   av.it.:  11.7
      thresh= 4.677E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.001E-11

      iter #   7 total cpu time :  5385.9 secs   av.it.:  12.1
      thresh= 3.164E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.499E-13

      iter #   8 total cpu time :  5400.1 secs   av.it.:  11.9
      thresh= 4.999E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.886E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  5413.3 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.401E-06

      iter #   2 total cpu time :  5428.1 secs   av.it.:  12.5
      thresh= 1.844E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.754E-06

      iter #   3 total cpu time :  5442.3 secs   av.it.:  11.6
      thresh= 2.399E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.757E-08

      iter #   4 total cpu time :  5456.7 secs   av.it.:  11.9
      thresh= 3.124E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.044E-08

      iter #   5 total cpu time :  5471.4 secs   av.it.:  12.1
      thresh= 1.022E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.128E-09

      iter #   6 total cpu time :  5485.6 secs   av.it.:  11.6
      thresh= 4.613E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.702E-12

      iter #   7 total cpu time :  5500.6 secs   av.it.:  12.5
      thresh= 2.168E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.056E-13

      iter #   8 total cpu time :  5515.2 secs   av.it.:  12.2
      thresh= 3.249E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.033E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  5526.5 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.420E-07

      iter #   2 total cpu time :  5541.5 secs   av.it.:  12.5
      thresh= 8.012E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.927E-07

      iter #   3 total cpu time :  5555.8 secs   av.it.:  11.8
      thresh= 8.323E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.420E-08

      iter #   4 total cpu time :  5570.1 secs   av.it.:  11.7
      thresh= 2.102E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.449E-09

      iter #   5 total cpu time :  5584.8 secs   av.it.:  12.1
      thresh= 7.382E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.566E-09

      iter #   6 total cpu time :  5599.2 secs   av.it.:  11.8
      thresh= 3.958E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.182E-11

      iter #   7 total cpu time :  5613.9 secs   av.it.:  12.2
      thresh= 3.438E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.588E-13

      iter #   8 total cpu time :  5628.7 secs   av.it.:  12.2
      thresh= 5.087E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.342E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  5640.4 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.539E-06

      iter #   2 total cpu time :  5655.4 secs   av.it.:  12.5
      thresh= 1.881E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.102E-06

      iter #   3 total cpu time :  5669.5 secs   av.it.:  11.6
      thresh= 2.470E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.182E-08

      iter #   4 total cpu time :  5684.9 secs   av.it.:  12.0
      thresh= 3.030E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.396E-08

      iter #   5 total cpu time :  5699.3 secs   av.it.:  12.0
      thresh= 1.182E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.155E-09

      iter #   6 total cpu time :  5713.5 secs   av.it.:  11.7
      thresh= 4.642E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.360E-12

      iter #   7 total cpu time :  5729.6 secs   av.it.:  12.6
      thresh= 2.522E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.034E-13

      iter #   8 total cpu time :  5744.3 secs   av.it.:  12.2
      thresh= 4.510E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.418E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.123057798   0.497334284   0.000000000
          2   0.492233023  -0.142095962   0.000000000
     In addition there is the -q list: 
          1  -0.123057798  -0.497334284   0.000000000
          2  -0.492233023   0.142095962   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.123057798   0.497334284   0.000000000 ) 

 **************************************************************************
     freq (    1) =      11.577915 [THz] =     386.197676 [cm-1]
     freq (    2) =      17.186459 [THz] =     573.278562 [cm-1]
     freq (    3) =      19.816837 [THz] =     661.018532 [cm-1]
     freq (    4) =      22.977012 [THz] =     766.430637 [cm-1]
     freq (    5) =      23.805312 [THz] =     794.059731 [cm-1]
     freq (    6) =      29.868859 [THz] =     996.317877 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        386.2  [cm-1]   --> A                  
     freq (  2 -  2) =        573.3  [cm-1]   --> A                  
     freq (  3 -  3) =        661.0  [cm-1]   --> A                  
     freq (  4 -  4) =        766.4  [cm-1]   --> A                  
     freq (  5 -  5) =        794.1  [cm-1]   --> A                  
     freq (  6 -  6) =        996.3  [cm-1]   --> A                  

     Calculation of q =    0.1230587  -0.4973345   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2546
     Max         274     106     43                40750    10246    2571
     Sum         547     211     85                81469    20475    5117
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.57 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.4

     total cpu time spent up to now is      448.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1230587  -0.4973345   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      1h33m CPU      1h36m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  5826.6 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.159E-06

      iter #   2 total cpu time :  5844.0 secs   av.it.:  12.3
      thresh= 1.076E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.628E-06

      iter #   3 total cpu time :  5860.1 secs   av.it.:  11.5
      thresh= 1.276E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.524E-08

      iter #   4 total cpu time :  5875.3 secs   av.it.:  11.9
      thresh= 2.350E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.507E-09

      iter #   5 total cpu time :  5890.0 secs   av.it.:  12.1
      thresh= 8.664E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.070E-09

      iter #   6 total cpu time :  5907.3 secs   av.it.:  11.7
      thresh= 4.550E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.600E-12

      iter #   7 total cpu time :  5922.2 secs   av.it.:  12.4
      thresh= 2.569E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.862E-13

      iter #   8 total cpu time :  5937.1 secs   av.it.:  12.1
      thresh= 4.315E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.124E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  5948.3 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.212E-07

      iter #   2 total cpu time :  5963.4 secs   av.it.:  12.1
      thresh= 7.881E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.058E-07

      iter #   3 total cpu time :  5977.6 secs   av.it.:  11.5
      thresh= 6.370E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.166E-08

      iter #   4 total cpu time :  5991.6 secs   av.it.:  11.4
      thresh= 2.858E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.028E-09

      iter #   5 total cpu time :  6006.3 secs   av.it.:  12.2
      thresh= 7.091E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.221E-09

      iter #   6 total cpu time :  6020.6 secs   av.it.:  11.7
      thresh= 4.713E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.093E-11

      iter #   7 total cpu time :  6035.2 secs   av.it.:  12.1
      thresh= 3.306E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.932E-13

      iter #   8 total cpu time :  6049.5 secs   av.it.:  11.8
      thresh= 5.415E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.415E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  6060.7 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.517E-07

      iter #   2 total cpu time :  6075.2 secs   av.it.:  12.1
      thresh= 7.428E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.430E-07

      iter #   3 total cpu time :  6089.7 secs   av.it.:  11.8
      thresh= 4.929E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.923E-08

      iter #   4 total cpu time :  6103.6 secs   av.it.:  11.3
      thresh= 2.987E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.419E-09

      iter #   5 total cpu time :  6118.5 secs   av.it.:  12.2
      thresh= 5.847E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.047E-09

      iter #   6 total cpu time :  6133.2 secs   av.it.:  11.7
      thresh= 4.525E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.198E-11

      iter #   7 total cpu time :  6148.0 secs   av.it.:  12.2
      thresh= 3.461E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.500E-13

      iter #   8 total cpu time :  6162.2 secs   av.it.:  11.8
      thresh= 5.916E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.542E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  6173.9 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.483E-06

      iter #   2 total cpu time :  6188.8 secs   av.it.:  12.4
      thresh= 1.866E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.073E-06

      iter #   3 total cpu time :  6202.9 secs   av.it.:  11.5
      thresh= 2.464E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.059E-07

      iter #   4 total cpu time :  6217.4 secs   av.it.:  11.9
      thresh= 3.254E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.059E-08

      iter #   5 total cpu time :  6231.9 secs   av.it.:  12.1
      thresh= 1.029E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.984E-09

      iter #   6 total cpu time :  6246.2 secs   av.it.:  11.6
      thresh= 4.454E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.870E-12

      iter #   7 total cpu time :  6261.2 secs   av.it.:  12.5
      thresh= 2.207E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.208E-13

      iter #   8 total cpu time :  6275.9 secs   av.it.:  12.2
      thresh= 3.475E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.252E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  6287.2 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.756E-07

      iter #   2 total cpu time :  6302.5 secs   av.it.:  12.5
      thresh= 7.587E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.811E-07

      iter #   3 total cpu time :  6317.5 secs   av.it.:  11.8
      thresh= 7.623E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.877E-08

      iter #   4 total cpu time :  6332.2 secs   av.it.:  11.6
      thresh= 2.208E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.679E-09

      iter #   5 total cpu time :  6346.9 secs   av.it.:  12.1
      thresh= 7.536E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.524E-09

      iter #   6 total cpu time :  6361.2 secs   av.it.:  11.8
      thresh= 3.904E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.565E-11

      iter #   7 total cpu time :  6375.9 secs   av.it.:  12.1
      thresh= 3.956E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.627E-13

      iter #   8 total cpu time :  6390.4 secs   av.it.:  12.1
      thresh= 6.023E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.995E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  6402.1 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.994E-06

      iter #   2 total cpu time :  6417.0 secs   av.it.:  12.4
      thresh= 1.730E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.190E-06

      iter #   3 total cpu time :  6431.3 secs   av.it.:  11.5
      thresh= 2.278E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.626E-08

      iter #   4 total cpu time :  6445.7 secs   av.it.:  11.9
      thresh= 3.103E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.237E-08

      iter #   5 total cpu time :  6460.4 secs   av.it.:  12.0
      thresh= 1.112E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.327E-09

      iter #   6 total cpu time :  6474.6 secs   av.it.:  11.6
      thresh= 4.824E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.663E-12

      iter #   7 total cpu time :  6489.7 secs   av.it.:  12.4
      thresh= 2.380E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.003E-13

      iter #   8 total cpu time :  6504.4 secs   av.it.:  12.3
      thresh= 3.167E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.873E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.123058652  -0.497334496   0.000000000
          2  -0.369174981   0.355239167   0.000000000
     In addition there is the -q list: 
          1  -0.123058652   0.497334496   0.000000000
          2   0.369174981  -0.355239167   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.123058652  -0.497334496   0.000000000 ) 

 **************************************************************************
     freq (    1) =      11.578059 [THz] =     386.202480 [cm-1]
     freq (    2) =      16.921987 [THz] =     564.456728 [cm-1]
     freq (    3) =      19.594721 [THz] =     653.609538 [cm-1]
     freq (    4) =      23.554681 [THz] =     785.699576 [cm-1]
     freq (    5) =      23.768104 [THz] =     792.818603 [cm-1]
     freq (    6) =      29.784742 [THz] =     993.512054 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        386.2  [cm-1]   --> A                  
     freq (  2 -  2) =        564.5  [cm-1]   --> A                  
     freq (  3 -  3) =        653.6  [cm-1]   --> A                  
     freq (  4 -  4) =        785.7  [cm-1]   --> A                  
     freq (  5 -  5) =        792.8  [cm-1]   --> A                  
     freq (  6 -  6) =        993.5  [cm-1]   --> A                  

     Calculation of q =    0.1230585  -0.3552390   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2406
     Max         274     106     43                40750    10246    2421
     Sum         547     211     85                81469    20475    4827
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.56 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.5

     total cpu time spent up to now is      504.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1230585  -0.3552390   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      1h45m CPU      1h49m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  6586.0 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.432E-06

      iter #   2 total cpu time :  6600.6 secs   av.it.:  12.0
      thresh= 1.853E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.466E-06

      iter #   3 total cpu time :  6614.2 secs   av.it.:  10.7
      thresh= 3.077E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.363E-08

      iter #   4 total cpu time :  6628.7 secs   av.it.:  12.0
      thresh= 1.834E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.376E-09

      iter #   5 total cpu time :  6643.4 secs   av.it.:  12.0
      thresh= 9.683E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.015E-09

      iter #   6 total cpu time :  6657.6 secs   av.it.:  11.7
      thresh= 4.489E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.378E-12

      iter #   7 total cpu time :  6672.3 secs   av.it.:  11.9
      thresh= 2.092E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.675E-14

      iter #   8 total cpu time :  6686.9 secs   av.it.:  12.2
      thresh= 2.584E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.241E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  6698.3 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.270E-06

      iter #   2 total cpu time :  6713.0 secs   av.it.:  12.1
      thresh= 1.127E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.117E-06

      iter #   3 total cpu time :  6726.8 secs   av.it.:  11.0
      thresh= 1.455E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.035E-08

      iter #   4 total cpu time :  6740.7 secs   av.it.:  11.2
      thresh= 3.006E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.328E-09

      iter #   5 total cpu time :  6755.4 secs   av.it.:  12.2
      thresh= 8.560E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.108E-09

      iter #   6 total cpu time :  6769.7 secs   av.it.:  11.6
      thresh= 6.409E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.979E-11

      iter #   7 total cpu time :  6783.9 secs   av.it.:  11.5
      thresh= 4.449E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.771E-13

      iter #   8 total cpu time :  6797.7 secs   av.it.:  11.1
      thresh= 8.229E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.695E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  6809.0 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.014E-06

      iter #   2 total cpu time :  6823.7 secs   av.it.:  12.1
      thresh= 1.007E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.129E-06

      iter #   3 total cpu time :  6837.7 secs   av.it.:  11.3
      thresh= 1.063E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.459E-07

      iter #   4 total cpu time :  6851.4 secs   av.it.:  11.0
      thresh= 3.819E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.160E-09

      iter #   5 total cpu time :  6866.3 secs   av.it.:  12.2
      thresh= 7.849E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.956E-09

      iter #   6 total cpu time :  6880.5 secs   av.it.:  11.6
      thresh= 6.290E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.734E-11

      iter #   7 total cpu time :  6894.8 secs   av.it.:  11.6
      thresh= 4.164E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.532E-13

      iter #   8 total cpu time :  6908.6 secs   av.it.:  11.2
      thresh= 8.082E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.927E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  6920.4 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.123E-06

      iter #   2 total cpu time :  6934.9 secs   av.it.:  12.0
      thresh= 2.669E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.036E-05

      iter #   3 total cpu time :  6948.5 secs   av.it.:  10.8
      thresh= 4.512E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.698E-08

      iter #   4 total cpu time :  6963.0 secs   av.it.:  11.9
      thresh= 2.387E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.120E-09

      iter #   5 total cpu time :  6978.6 secs   av.it.:  12.2
      thresh= 8.438E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.800E-09

      iter #   6 total cpu time :  6992.8 secs   av.it.:  11.6
      thresh= 5.291E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.911E-12

      iter #   7 total cpu time :  7007.9 secs   av.it.:  12.1
      thresh= 1.706E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.722E-13

      iter #   8 total cpu time :  7022.3 secs   av.it.:  11.8
      thresh= 4.150E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.925E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  7033.6 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.053E-06

      iter #   2 total cpu time :  7048.4 secs   av.it.:  12.2
      thresh= 1.026E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.316E-06

      iter #   3 total cpu time :  7062.1 secs   av.it.:  10.9
      thresh= 1.522E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.449E-08

      iter #   4 total cpu time :  7076.4 secs   av.it.:  11.6
      thresh= 1.857E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.020E-09

      iter #   5 total cpu time :  7091.1 secs   av.it.:  12.2
      thresh= 7.759E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.793E-09

      iter #   6 total cpu time :  7105.5 secs   av.it.:  11.6
      thresh= 4.235E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.583E-12

      iter #   7 total cpu time :  7120.1 secs   av.it.:  12.0
      thresh= 2.141E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.416E-14

      iter #   8 total cpu time :  7134.4 secs   av.it.:  11.8
      thresh= 2.101E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.533E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  7146.1 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.025E-06

      iter #   2 total cpu time :  7160.7 secs   av.it.:  12.0
      thresh= 2.242E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.420E-05

      iter #   3 total cpu time :  7174.3 secs   av.it.:  10.8
      thresh= 3.769E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.872E-08

      iter #   4 total cpu time :  7188.8 secs   av.it.:  11.9
      thresh= 2.207E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.733E-09

      iter #   5 total cpu time :  7203.6 secs   av.it.:  12.2
      thresh= 8.206E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.483E-09

      iter #   6 total cpu time :  7217.7 secs   av.it.:  11.5
      thresh= 5.902E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.375E-12

      iter #   7 total cpu time :  7232.4 secs   av.it.:  12.1
      thresh= 2.318E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.221E-13

      iter #   8 total cpu time :  7246.6 secs   av.it.:  11.6
      thresh= 3.494E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.371E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.123058530  -0.355238956   0.000000000
          2  -0.246116695   0.284191291   0.000000000
     In addition there is the -q list: 
          1  -0.123058530   0.355238956   0.000000000
          2   0.246116695  -0.284191291   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.123058530  -0.355238956   0.000000000 ) 

 **************************************************************************
     freq (    1) =       7.900014 [THz] =     263.516092 [cm-1]
     freq (    2) =      14.662222 [THz] =     489.079075 [cm-1]
     freq (    3) =      19.604877 [THz] =     653.948310 [cm-1]
     freq (    4) =      22.892087 [THz] =     763.597812 [cm-1]
     freq (    5) =      25.857648 [THz] =     862.518281 [cm-1]
     freq (    6) =      29.379224 [THz] =     979.985436 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        263.5  [cm-1]   --> A                  
     freq (  2 -  2) =        489.1  [cm-1]   --> A                  
     freq (  3 -  3) =        653.9  [cm-1]   --> A                  
     freq (  4 -  4) =        763.6  [cm-1]   --> A                  
     freq (  5 -  5) =        862.5  [cm-1]   --> A                  
     freq (  6 -  6) =        980.0  [cm-1]   --> A                  

     Calculation of q =    0.1230584  -0.2131434   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2188
     Max         274     106     43                40750    10246    2193
     Sum         547     211     85                81469    20475    4381
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.55 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.5

     total cpu time spent up to now is      559.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1230584  -0.2131434   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      1h57m CPU      2h 1m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  7328.7 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.130E-05

      iter #   2 total cpu time :  7342.7 secs   av.it.:  11.4
      thresh= 3.362E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.996E-05

      iter #   3 total cpu time :  7355.7 secs   av.it.:  10.0
      thresh= 6.322E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.319E-08

      iter #   4 total cpu time :  7370.2 secs   av.it.:  11.9
      thresh= 1.148E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.475E-09

      iter #   5 total cpu time :  7385.2 secs   av.it.:  12.4
      thresh= 4.975E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.363E-09

      iter #   6 total cpu time :  7398.9 secs   av.it.:  11.0
      thresh= 6.606E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.618E-11

      iter #   7 total cpu time :  7413.3 secs   av.it.:  11.7
      thresh= 8.135E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.264E-12

      iter #   8 total cpu time :  7427.9 secs   av.it.:  12.0
      thresh= 1.124E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.509E-13

      iter #   9 total cpu time :  7441.9 secs   av.it.:  11.5
      thresh= 6.715E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.067E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  7453.5 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.729E-06

      iter #   2 total cpu time :  7468.0 secs   av.it.:  11.9
      thresh= 1.931E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.106E-06

      iter #   3 total cpu time :  7481.6 secs   av.it.:  10.8
      thresh= 2.847E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.683E-07

      iter #   4 total cpu time :  7495.2 secs   av.it.:  10.8
      thresh= 4.102E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.703E-08

      iter #   5 total cpu time :  7509.8 secs   av.it.:  11.9
      thresh= 1.305E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.257E-08

      iter #   6 total cpu time :  7523.7 secs   av.it.:  11.4
      thresh= 1.121E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.541E-10

      iter #   7 total cpu time :  7537.4 secs   av.it.:  10.9
      thresh= 1.241E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.068E-13

      iter #   8 total cpu time :  7550.4 secs   av.it.:  10.4
      thresh= 9.523E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.261E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  7561.9 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.004E-06

      iter #   2 total cpu time :  7576.5 secs   av.it.:  11.9
      thresh= 1.733E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.632E-06

      iter #   3 total cpu time :  7590.3 secs   av.it.:  11.1
      thresh= 2.152E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.747E-07

      iter #   4 total cpu time :  7604.1 secs   av.it.:  10.9
      thresh= 5.241E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.583E-08

      iter #   5 total cpu time :  7618.4 secs   av.it.:  11.8
      thresh= 1.258E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.266E-08

      iter #   6 total cpu time :  7632.5 secs   av.it.:  11.3
      thresh= 1.125E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.524E-10

      iter #   7 total cpu time :  7646.2 secs   av.it.:  10.9
      thresh= 1.235E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.640E-13

      iter #   8 total cpu time :  7660.4 secs   av.it.:  10.4
      thresh= 8.149E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.398E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  7672.0 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.401E-05

      iter #   2 total cpu time :  7686.0 secs   av.it.:  11.4
      thresh= 3.743E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.860E-05

      iter #   3 total cpu time :  7699.0 secs   av.it.:  10.0
      thresh= 6.972E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.395E-08

      iter #   4 total cpu time :  7713.2 secs   av.it.:  11.6
      thresh= 1.547E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.627E-09

      iter #   5 total cpu time :  7727.9 secs   av.it.:  12.0
      thresh= 4.034E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.432E-09

      iter #   6 total cpu time :  7741.7 secs   av.it.:  11.1
      thresh= 3.784E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.087E-11

      iter #   7 total cpu time :  7756.5 secs   av.it.:  12.1
      thresh= 3.297E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.347E-12

      iter #   8 total cpu time :  7770.5 secs   av.it.:  11.4
      thresh= 1.160E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.497E-14

      iter #   9 total cpu time :  7785.0 secs   av.it.:  11.9
      thresh= 2.549E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.312E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  7796.4 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.180E-06

      iter #   2 total cpu time :  7810.5 secs   av.it.:  11.6
      thresh= 2.044E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.391E-05

      iter #   3 total cpu time :  7823.5 secs   av.it.:  10.0
      thresh= 3.730E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.755E-08

      iter #   4 total cpu time :  7837.7 secs   av.it.:  11.6
      thresh= 1.325E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.552E-09

      iter #   5 total cpu time :  7852.7 secs   av.it.:  12.4
      thresh= 3.940E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.919E-09

      iter #   6 total cpu time :  7866.4 secs   av.it.:  11.1
      thresh= 5.403E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.871E-11

      iter #   7 total cpu time :  7881.0 secs   av.it.:  11.9
      thresh= 5.358E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.378E-13

      iter #   8 total cpu time :  7895.0 secs   av.it.:  11.5
      thresh= 7.986E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.150E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  7906.6 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.632E-06

      iter #   2 total cpu time :  7920.6 secs   av.it.:  11.4
      thresh= 2.763E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.605E-05

      iter #   3 total cpu time :  7933.6 secs   av.it.:  10.0
      thresh= 5.104E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.087E-08

      iter #   4 total cpu time :  7947.8 secs   av.it.:  11.6
      thresh= 1.445E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.645E-09

      iter #   5 total cpu time :  7962.7 secs   av.it.:  12.3
      thresh= 4.055E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.253E-09

      iter #   6 total cpu time :  7976.5 secs   av.it.:  11.1
      thresh= 4.746E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.387E-11

      iter #   7 total cpu time :  7991.1 secs   av.it.:  12.0
      thresh= 4.886E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.248E-13

      iter #   8 total cpu time :  8005.2 secs   av.it.:  11.4
      thresh= 9.617E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.069E-14

      iter #   9 total cpu time :  8019.4 secs   av.it.:  11.7
      thresh= 1.034E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.298E-16

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.123058408  -0.213143416   0.000000000
          2  -0.123058408   0.213143416   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.123058408  -0.213143416   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.082134 [THz] =     136.165321 [cm-1]
     freq (    2) =      10.325561 [THz] =     344.423650 [cm-1]
     freq (    3) =      14.619604 [THz] =     487.657482 [cm-1]
     freq (    4) =      25.299226 [THz] =     843.891330 [cm-1]
     freq (    5) =      28.615981 [THz] =     954.526369 [cm-1]
     freq (    6) =      28.715340 [THz] =     957.840656 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        136.2  [cm-1]   --> A                  
     freq (  2 -  2) =        344.4  [cm-1]   --> A                  
     freq (  3 -  3) =        487.7  [cm-1]   --> A                  
     freq (  4 -  4) =        843.9  [cm-1]   --> A                  
     freq (  5 -  5) =        954.5  [cm-1]   --> A                  
     freq (  6 -  6) =        957.8  [cm-1]   --> A                  

     Calculation of q =    0.2461163   0.1420953   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2298
     Max         274     106     43                40750    10246    2311
     Sum         547     211     85                81469    20475    4609
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   156  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.55 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.0

     total cpu time spent up to now is      590.2 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2461163   0.1420953   0.0000000 )
 
      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   156  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A'  To be done

     Representation     4      1 modes -A'  To be done

     Representation     5      1 modes -A''  To be done

     Representation     6      1 modes -A''  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      2h 9m CPU      2h14m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  8067.7 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.596E-06

      iter #   2 total cpu time :  8076.0 secs   av.it.:  11.8
      thresh= 1.611E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.336E-06

      iter #   3 total cpu time :  8083.7 secs   av.it.:  10.7
      thresh= 2.310E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.780E-07

      iter #   4 total cpu time :  8091.5 secs   av.it.:  11.0
      thresh= 4.220E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.876E-08

      iter #   5 total cpu time :  8099.5 secs   av.it.:  11.2
      thresh= 1.969E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.134E-09

      iter #   6 total cpu time :  8107.5 secs   av.it.:  11.2
      thresh= 6.430E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.640E-11

      iter #   7 total cpu time :  8115.4 secs   av.it.:  11.1
      thresh= 8.149E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.030E-12

      iter #   8 total cpu time :  8123.2 secs   av.it.:  10.8
      thresh= 1.015E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.440E-14

      iter #   9 total cpu time :  8131.4 secs   av.it.:  11.7
      thresh= 1.200E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.265E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  8138.1 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.794E-06

      iter #   2 total cpu time :  8146.4 secs   av.it.:  11.8
      thresh= 1.671E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.190E-06

      iter #   3 total cpu time :  8154.1 secs   av.it.:  10.6
      thresh= 2.488E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.439E-07

      iter #   4 total cpu time :  8162.0 secs   av.it.:  11.1
      thresh= 3.793E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.269E-08

      iter #   5 total cpu time :  8170.0 secs   av.it.:  11.2
      thresh= 2.066E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.797E-09

      iter #   6 total cpu time :  8178.0 secs   av.it.:  11.1
      thresh= 6.162E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.602E-11

      iter #   7 total cpu time :  8185.8 secs   av.it.:  10.9
      thresh= 8.719E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.052E-12

      iter #   8 total cpu time :  8193.6 secs   av.it.:  10.9
      thresh= 1.026E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.995E-14

      iter #   9 total cpu time :  8201.7 secs   av.it.:  11.6
      thresh= 1.731E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.660E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  8208.6 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.350E-05

      iter #   2 total cpu time :  8216.6 secs   av.it.:  11.5
      thresh= 3.675E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.392E-05

      iter #   3 total cpu time :  8224.1 secs   av.it.:  10.1
      thresh= 6.627E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.325E-08

      iter #   4 total cpu time :  8232.3 secs   av.it.:  11.8
      thresh= 2.885E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.795E-08

      iter #   5 total cpu time :  8240.7 secs   av.it.:  11.5
      thresh= 1.672E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.558E-09

      iter #   6 total cpu time :  8249.3 secs   av.it.:  11.5
      thresh= 3.947E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.589E-11

      iter #   7 total cpu time :  8257.4 secs   av.it.:  11.5
      thresh= 3.986E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.548E-12

      iter #   8 total cpu time :  8265.2 secs   av.it.:  10.8
      thresh= 1.244E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.061E-14

      iter #   9 total cpu time :  8273.3 secs   av.it.:  11.6
      thresh= 1.436E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.013E-14

      iter #  10 total cpu time :  8281.0 secs   av.it.:  10.8
      thresh= 1.736E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.195E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  8288.0 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.371E-05

      iter #   2 total cpu time :  8296.1 secs   av.it.:  11.5
      thresh= 3.703E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.477E-05

      iter #   3 total cpu time :  8303.5 secs   av.it.:  10.1
      thresh= 6.691E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.099E-08

      iter #   4 total cpu time :  8311.8 secs   av.it.:  11.8
      thresh= 2.846E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.749E-08

      iter #   5 total cpu time :  8320.0 secs   av.it.:  11.5
      thresh= 1.658E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.451E-09

      iter #   6 total cpu time :  8328.2 secs   av.it.:  11.5
      thresh= 3.809E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.656E-12

      iter #   7 total cpu time :  8336.3 secs   av.it.:  11.6
      thresh= 3.107E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.592E-12

      iter #   8 total cpu time :  8344.1 secs   av.it.:  10.6
      thresh= 1.262E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.935E-14

      iter #   9 total cpu time :  8352.3 secs   av.it.:  11.5
      thresh= 1.713E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.528E-14

      iter #  10 total cpu time :  8360.1 secs   av.it.:  10.8
      thresh= 1.878E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.308E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  8366.6 secs   av.it.:   6.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.413E-07

      iter #   2 total cpu time :  8374.7 secs   av.it.:  11.6
      thresh= 4.913E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.512E-08

      iter #   3 total cpu time :  8382.4 secs   av.it.:  10.7
      thresh= 1.230E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.075E-10

      iter #   4 total cpu time :  8389.9 secs   av.it.:  10.4
      thresh= 3.012E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.575E-13

      iter #   5 total cpu time :  8397.9 secs   av.it.:  11.1
      thresh= 8.109E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.824E-14

      iter #   6 total cpu time :  8405.7 secs   av.it.:  10.7
      thresh= 1.955E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.653E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  8412.1 secs   av.it.:   6.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.126E-07

      iter #   2 total cpu time :  8420.3 secs   av.it.:  11.7
      thresh= 4.610E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.196E-08

      iter #   3 total cpu time :  8428.0 secs   av.it.:  10.7
      thresh= 1.094E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.093E-10

      iter #   4 total cpu time :  8435.5 secs   av.it.:  10.3
      thresh= 2.845E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.662E-13

      iter #   5 total cpu time :  8443.4 secs   av.it.:  11.0
      thresh= 8.162E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.805E-14

      iter #   6 total cpu time :  8451.1 secs   av.it.:  10.7
      thresh= 1.951E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.641E-17

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    1
     List of q in the star:
          1   0.246116329   0.142095329   0.000000000
     In addition there is the -q list: 
          1  -0.246116329  -0.142095329   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.246116329   0.142095329   0.000000000 ) 

 **************************************************************************
     freq (    1) =       5.388466 [THz] =     179.739872 [cm-1]
     freq (    2) =      11.046999 [THz] =     368.488235 [cm-1]
     freq (    3) =      17.490845 [THz] =     583.431788 [cm-1]
     freq (    4) =      25.018174 [THz] =     834.516471 [cm-1]
     freq (    5) =      26.612646 [THz] =     887.702310 [cm-1]
     freq (    6) =      29.259163 [THz] =     975.980616 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        179.7  [cm-1]   --> A'                 
     freq (  2 -  2) =        368.5  [cm-1]   --> A''                
     freq (  3 -  3) =        583.4  [cm-1]   --> A'                 
     freq (  4 -  4) =        834.5  [cm-1]   --> A''                
     freq (  5 -  5) =        887.7  [cm-1]   --> A'                 
     freq (  6 -  6) =        976.0  [cm-1]   --> A'                 

     Calculation of q =    0.2461162   0.2841909   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2434
     Max         274     106     43                40750    10246    2453
     Sum         547     211     85                81469    20475    4887
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.56 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.4

     total cpu time spent up to now is      645.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2461162   0.2841909   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      2h16m CPU      2h22m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  8532.4 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.504E-06

      iter #   2 total cpu time :  8547.1 secs   av.it.:  12.2
      thresh= 1.226E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.778E-06

      iter #   3 total cpu time :  8560.9 secs   av.it.:  10.8
      thresh= 1.944E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.283E-08

      iter #   4 total cpu time :  8575.2 secs   av.it.:  11.7
      thresh= 1.812E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.579E-09

      iter #   5 total cpu time :  8590.2 secs   av.it.:  12.3
      thresh= 5.982E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.438E-09

      iter #   6 total cpu time :  8604.4 secs   av.it.:  11.5
      thresh= 4.937E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.223E-12

      iter #   7 total cpu time :  8619.3 secs   av.it.:  12.2
      thresh= 1.795E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.290E-14

      iter #   8 total cpu time :  8633.5 secs   av.it.:  11.7
      thresh= 2.879E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.944E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  8644.9 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.205E-06

      iter #   2 total cpu time :  8659.6 secs   av.it.:  12.2
      thresh= 1.098E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.803E-06

      iter #   3 total cpu time :  8673.5 secs   av.it.:  11.2
      thresh= 1.343E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.024E-07

      iter #   4 total cpu time :  8687.5 secs   av.it.:  11.2
      thresh= 3.200E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.628E-09

      iter #   5 total cpu time :  8702.2 secs   av.it.:  12.1
      thresh= 9.812E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.122E-09

      iter #   6 total cpu time :  8716.5 secs   av.it.:  11.6
      thresh= 6.421E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.741E-11

      iter #   7 total cpu time :  8730.7 secs   av.it.:  11.5
      thresh= 4.172E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.355E-13

      iter #   8 total cpu time :  8744.6 secs   av.it.:  11.1
      thresh= 7.972E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.305E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  8755.9 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.081E-06

      iter #   2 total cpu time :  8770.7 secs   av.it.:  12.2
      thresh= 1.040E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.361E-06

      iter #   3 total cpu time :  8784.7 secs   av.it.:  11.2
      thresh= 1.167E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.198E-07

      iter #   4 total cpu time :  8798.5 secs   av.it.:  11.2
      thresh= 3.461E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.677E-09

      iter #   5 total cpu time :  8813.3 secs   av.it.:  12.1
      thresh= 9.315E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.282E-09

      iter #   6 total cpu time :  8827.5 secs   av.it.:  11.6
      thresh= 6.543E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.968E-11

      iter #   7 total cpu time :  8842.0 secs   av.it.:  11.6
      thresh= 4.436E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.091E-13

      iter #   8 total cpu time :  8855.8 secs   av.it.:  11.1
      thresh= 7.805E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.102E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  8867.5 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.164E-06

      iter #   2 total cpu time :  8882.1 secs   av.it.:  12.0
      thresh= 2.041E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.114E-05

      iter #   3 total cpu time :  8895.8 secs   av.it.:  10.8
      thresh= 3.338E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.525E-08

      iter #   4 total cpu time :  8910.4 secs   av.it.:  12.0
      thresh= 2.127E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.353E-08

      iter #   5 total cpu time :  8925.0 secs   av.it.:  11.9
      thresh= 1.163E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.427E-09

      iter #   6 total cpu time :  8939.4 secs   av.it.:  11.7
      thresh= 3.778E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.374E-12

      iter #   7 total cpu time :  8954.3 secs   av.it.:  12.2
      thresh= 1.172E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.761E-14

      iter #   8 total cpu time :  8968.8 secs   av.it.:  12.0
      thresh= 2.400E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.013E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  8980.3 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.962E-06

      iter #   2 total cpu time :  8995.0 secs   av.it.:  12.0
      thresh= 1.991E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.085E-05

      iter #   3 total cpu time :  9008.7 secs   av.it.:  10.8
      thresh= 3.294E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.710E-08

      iter #   4 total cpu time :  9023.3 secs   av.it.:  11.9
      thresh= 2.170E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.470E-09

      iter #   5 total cpu time :  9037.9 secs   av.it.:  12.0
      thresh= 9.731E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.146E-09

      iter #   6 total cpu time :  9052.2 secs   av.it.:  11.6
      thresh= 4.632E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.572E-12

      iter #   7 total cpu time :  9066.9 secs   av.it.:  12.0
      thresh= 2.360E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.936E-14

      iter #   8 total cpu time :  9081.2 secs   av.it.:  11.6
      thresh= 3.152E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.371E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  9092.9 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.769E-06

      iter #   2 total cpu time :  9107.8 secs   av.it.:  12.0
      thresh= 2.602E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.867E-05

      iter #   3 total cpu time :  9121.4 secs   av.it.:  10.8
      thresh= 4.321E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.398E-08

      iter #   4 total cpu time :  9136.1 secs   av.it.:  12.0
      thresh= 2.529E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.825E-08

      iter #   5 total cpu time :  9150.9 secs   av.it.:  11.9
      thresh= 1.351E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.764E-09

      iter #   6 total cpu time :  9165.2 secs   av.it.:  11.7
      thresh= 4.200E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.346E-12

      iter #   7 total cpu time :  9180.9 secs   av.it.:  12.0
      thresh= 1.829E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.884E-14

      iter #   8 total cpu time :  9195.4 secs   av.it.:  12.0
      thresh= 3.144E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.904E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.246116207   0.284190869   0.000000000
          2   0.369174615   0.071047453   0.000000000
     In addition there is the -q list: 
          1  -0.246116207  -0.284190869   0.000000000
          2  -0.369174615  -0.071047453   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.246116207   0.284190869   0.000000000 ) 

 **************************************************************************
     freq (    1) =       7.999315 [THz] =     266.828435 [cm-1]
     freq (    2) =      14.897109 [THz] =     496.914057 [cm-1]
     freq (    3) =      20.068957 [THz] =     669.428336 [cm-1]
     freq (    4) =      23.489881 [THz] =     783.538091 [cm-1]
     freq (    5) =      24.990484 [THz] =     833.592832 [cm-1]
     freq (    6) =      29.037988 [THz] =     968.603034 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        266.8  [cm-1]   --> A                  
     freq (  2 -  2) =        496.9  [cm-1]   --> A                  
     freq (  3 -  3) =        669.4  [cm-1]   --> A                  
     freq (  4 -  4) =        783.5  [cm-1]   --> A                  
     freq (  5 -  5) =        833.6  [cm-1]   --> A                  
     freq (  6 -  6) =        968.6  [cm-1]   --> A                  

     Calculation of q =    0.2461161   0.4262864   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2588
     Max         274     106     43                40750    10246    2613
     Sum         547     211     85                81469    20475    5201
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.56 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.0

     total cpu time spent up to now is      700.9 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2461161   0.4262864   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      2h28m CPU      2h34m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :  9276.3 secs   av.it.:   7.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.803E-07

      iter #   2 total cpu time :  9291.2 secs   av.it.:  12.5
      thresh= 8.248E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.462E-07

      iter #   3 total cpu time :  9306.4 secs   av.it.:  11.9
      thresh= 7.390E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.124E-08

      iter #   4 total cpu time :  9320.7 secs   av.it.:  11.7
      thresh= 2.850E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.718E-09

      iter #   5 total cpu time :  9335.4 secs   av.it.:  12.1
      thresh= 4.145E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.838E-10

      iter #   6 total cpu time :  9349.6 secs   av.it.:  11.7
      thresh= 2.800E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.593E-11

      iter #   7 total cpu time :  9364.1 secs   av.it.:  11.9
      thresh= 3.992E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.247E-14

      iter #   8 total cpu time :  9378.8 secs   av.it.:  12.2
      thresh= 2.872E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.100E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :  9390.0 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.401E-07

      iter #   2 total cpu time :  9404.8 secs   av.it.:  12.1
      thresh= 8.000E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.949E-07

      iter #   3 total cpu time :  9419.3 secs   av.it.:  11.5
      thresh= 7.035E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.825E-08

      iter #   4 total cpu time :  9434.9 secs   av.it.:  11.3
      thresh= 2.971E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.142E-09

      iter #   5 total cpu time :  9449.7 secs   av.it.:  12.0
      thresh= 3.379E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.360E-10

      iter #   6 total cpu time :  9464.2 secs   av.it.:  11.9
      thresh= 1.536E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.965E-11

      iter #   7 total cpu time :  9478.6 secs   av.it.:  11.8
      thresh= 4.433E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.741E-13

      iter #   8 total cpu time :  9492.8 secs   av.it.:  11.6
      thresh= 5.236E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.363E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  9503.9 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.119E-07

      iter #   2 total cpu time :  9518.7 secs   av.it.:  12.1
      thresh= 7.823E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.362E-07

      iter #   3 total cpu time :  9532.8 secs   av.it.:  11.5
      thresh= 6.605E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.000E-08

      iter #   4 total cpu time :  9546.8 secs   av.it.:  11.3
      thresh= 3.000E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.275E-09

      iter #   5 total cpu time :  9561.4 secs   av.it.:  12.0
      thresh= 3.571E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.009E-10

      iter #   6 total cpu time :  9575.9 secs   av.it.:  11.9
      thresh= 1.735E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.160E-11

      iter #   7 total cpu time :  9590.3 secs   av.it.:  11.8
      thresh= 4.647E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.556E-13

      iter #   8 total cpu time :  9604.6 secs   av.it.:  11.7
      thresh= 5.056E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.762E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :  9616.2 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.626E-06

      iter #   2 total cpu time :  9631.0 secs   av.it.:  12.4
      thresh= 1.620E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.470E-06

      iter #   3 total cpu time :  9645.2 secs   av.it.:  11.4
      thresh= 2.114E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.203E-08

      iter #   4 total cpu time :  9659.5 secs   av.it.:  11.7
      thresh= 2.491E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.350E-09

      iter #   5 total cpu time :  9674.5 secs   av.it.:  12.5
      thresh= 4.848E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.259E-09

      iter #   6 total cpu time :  9688.9 secs   av.it.:  11.7
      thresh= 4.753E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.321E-12

      iter #   7 total cpu time :  9703.8 secs   av.it.:  12.3
      thresh= 2.514E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.551E-13

      iter #   8 total cpu time :  9718.8 secs   av.it.:  12.1
      thresh= 3.939E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.961E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :  9730.3 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.598E-06

      iter #   2 total cpu time :  9746.1 secs   av.it.:  12.5
      thresh= 1.264E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.637E-06

      iter #   3 total cpu time :  9761.2 secs   av.it.:  11.5
      thresh= 1.624E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.889E-08

      iter #   4 total cpu time :  9776.4 secs   av.it.:  11.7
      thresh= 2.211E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.775E-09

      iter #   5 total cpu time :  9791.5 secs   av.it.:  12.5
      thresh= 4.212E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.815E-09

      iter #   6 total cpu time :  9805.7 secs   av.it.:  11.6
      thresh= 4.260E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.493E-12

      iter #   7 total cpu time :  9820.4 secs   av.it.:  12.2
      thresh= 3.081E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.558E-13

      iter #   8 total cpu time :  9835.1 secs   av.it.:  12.2
      thresh= 3.947E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.508E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :  9846.9 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.594E-06

      iter #   2 total cpu time :  9861.8 secs   av.it.:  12.4
      thresh= 1.896E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.622E-06

      iter #   3 total cpu time :  9875.8 secs   av.it.:  11.4
      thresh= 2.573E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.133E-08

      iter #   4 total cpu time :  9890.3 secs   av.it.:  11.8
      thresh= 2.476E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.108E-09

      iter #   5 total cpu time :  9905.3 secs   av.it.:  12.5
      thresh= 5.575E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.955E-09

      iter #   6 total cpu time :  9919.5 secs   av.it.:  11.7
      thresh= 5.436E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.409E-12

      iter #   7 total cpu time :  9934.4 secs   av.it.:  12.3
      thresh= 2.532E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.711E-13

      iter #   8 total cpu time :  9949.0 secs   av.it.:  12.1
      thresh= 5.207E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.283E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.246116085   0.426286409   0.000000000
          2   0.492232902  -0.000000422   0.000000000
     In addition there is the -q list: 
          1  -0.246116085  -0.426286409   0.000000000
          2  -0.492232902   0.000000422   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.246116085   0.426286409   0.000000000 ) 

 **************************************************************************
     freq (    1) =      11.180544 [THz] =     372.942815 [cm-1]
     freq (    2) =      18.660509 [THz] =     622.447588 [cm-1]
     freq (    3) =      19.645288 [THz] =     655.296260 [cm-1]
     freq (    4) =      23.382825 [THz] =     779.967098 [cm-1]
     freq (    5) =      23.767444 [THz] =     792.796583 [cm-1]
     freq (    6) =      28.094944 [THz] =     937.146458 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        372.9  [cm-1]   --> A                  
     freq (  2 -  2) =        622.4  [cm-1]   --> A                  
     freq (  3 -  3) =        655.3  [cm-1]   --> A                  
     freq (  4 -  4) =        780.0  [cm-1]   --> A                  
     freq (  5 -  5) =        792.8  [cm-1]   --> A                  
     freq (  6 -  6) =        937.1  [cm-1]   --> A                  

     Calculation of q =    0.2461160   0.5683819   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     43                40719    10229    2740
     Max         274     106     48                40750    10246    2745
     Sum         547     211     91                81469    20475    5485
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.29 MB

     Estimated total dynamical RAM >      82.57 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.4

     total cpu time spent up to now is      757.0 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2461160   0.5683819   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      2h40m CPU      2h47m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time : 10031.1 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.020E-06

      iter #   2 total cpu time : 10046.2 secs   av.it.:  12.6
      thresh= 1.010E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.007E-07

      iter #   3 total cpu time : 10061.1 secs   av.it.:  11.9
      thresh= 9.490E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.978E-08

      iter #   4 total cpu time : 10075.6 secs   av.it.:  11.9
      thresh= 2.824E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.972E-09

      iter #   5 total cpu time : 10090.5 secs   av.it.:  12.1
      thresh= 4.440E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.390E-10

      iter #   6 total cpu time : 10105.1 secs   av.it.:  12.0
      thresh= 2.718E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.760E-11

      iter #   7 total cpu time : 10119.8 secs   av.it.:  11.9
      thresh= 6.899E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.816E-13

      iter #   8 total cpu time : 10134.8 secs   av.it.:  12.4
      thresh= 4.261E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.651E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time : 10146.1 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.039E-07

      iter #   2 total cpu time : 10160.8 secs   av.it.:  12.1
      thresh= 7.099E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.138E-07

      iter #   3 total cpu time : 10175.6 secs   av.it.:  12.0
      thresh= 4.624E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.255E-08

      iter #   4 total cpu time : 10190.0 secs   av.it.:  11.7
      thresh= 2.873E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.107E-09

      iter #   5 total cpu time : 10204.9 secs   av.it.:  12.2
      thresh= 3.327E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.834E-10

      iter #   6 total cpu time : 10219.4 secs   av.it.:  11.8
      thresh= 1.683E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.102E-11

      iter #   7 total cpu time : 10233.9 secs   av.it.:  11.8
      thresh= 3.320E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.953E-13

      iter #   8 total cpu time : 10248.8 secs   av.it.:  12.0
      thresh= 4.420E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.150E-14

      iter #   9 total cpu time : 10263.0 secs   av.it.:  11.6
      thresh= 1.072E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.447E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time : 10274.3 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.780E-07

      iter #   2 total cpu time : 10289.1 secs   av.it.:  12.1
      thresh= 6.914E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.689E-07

      iter #   3 total cpu time : 10305.7 secs   av.it.:  12.2
      thresh= 4.110E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.499E-08

      iter #   4 total cpu time : 10320.2 secs   av.it.:  11.8
      thresh= 2.915E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.220E-09

      iter #   5 total cpu time : 10335.3 secs   av.it.:  12.1
      thresh= 3.493E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.953E-10

      iter #   6 total cpu time : 10349.8 secs   av.it.:  11.8
      thresh= 1.719E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.151E-11

      iter #   7 total cpu time : 10365.4 secs   av.it.:  11.8
      thresh= 3.393E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.364E-13

      iter #   8 total cpu time : 10380.0 secs   av.it.:  12.0
      thresh= 4.862E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.399E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time : 10391.8 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.950E-06

      iter #   2 total cpu time : 10406.9 secs   av.it.:  12.6
      thresh= 1.396E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.260E-06

      iter #   3 total cpu time : 10421.5 secs   av.it.:  11.9
      thresh= 1.503E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.879E-08

      iter #   4 total cpu time : 10436.1 secs   av.it.:  11.9
      thresh= 2.980E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.111E-09

      iter #   5 total cpu time : 10451.2 secs   av.it.:  12.4
      thresh= 4.594E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.501E-09

      iter #   6 total cpu time : 10465.7 secs   av.it.:  11.8
      thresh= 3.875E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.070E-11

      iter #   7 total cpu time : 10480.4 secs   av.it.:  12.1
      thresh= 4.549E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.430E-13

      iter #   8 total cpu time : 10495.5 secs   av.it.:  12.5
      thresh= 3.782E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.238E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time : 10507.1 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.087E-06

      iter #   2 total cpu time : 10522.3 secs   av.it.:  12.7
      thresh= 1.042E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.260E-06

      iter #   3 total cpu time : 10536.9 secs   av.it.:  11.9
      thresh= 1.122E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.670E-08

      iter #   4 total cpu time : 10551.5 secs   av.it.:  11.9
      thresh= 2.381E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.879E-09

      iter #   5 total cpu time : 10566.4 secs   av.it.:  12.2
      thresh= 4.335E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.029E-09

      iter #   6 total cpu time : 10581.1 secs   av.it.:  11.9
      thresh= 3.207E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.674E-11

      iter #   7 total cpu time : 10595.8 secs   av.it.:  12.0
      thresh= 7.533E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.414E-13

      iter #   8 total cpu time : 10610.7 secs   av.it.:  12.3
      thresh= 6.644E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.211E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time : 10622.4 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.064E-06

      iter #   2 total cpu time : 10637.6 secs   av.it.:  12.6
      thresh= 1.437E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.665E-06

      iter #   3 total cpu time : 10652.2 secs   av.it.:  11.8
      thresh= 1.632E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.468E-08

      iter #   4 total cpu time : 10666.9 secs   av.it.:  12.0
      thresh= 2.733E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.727E-09

      iter #   5 total cpu time : 10682.0 secs   av.it.:  12.5
      thresh= 5.222E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.931E-09

      iter #   6 total cpu time : 10696.5 secs   av.it.:  11.7
      thresh= 4.395E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.834E-11

      iter #   7 total cpu time : 10712.6 secs   av.it.:  12.1
      thresh= 5.324E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.179E-13

      iter #   8 total cpu time : 10727.5 secs   av.it.:  12.4
      thresh= 4.668E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.527E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.246115963   0.568381949   0.000000000
          2   0.615291188  -0.071048298   0.000000000
     In addition there is the -q list: 
          1  -0.246115963  -0.568381949   0.000000000
          2  -0.615291188   0.071048298   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.246115963   0.568381949   0.000000000 ) 

 **************************************************************************
     freq (    1) =      13.565387 [THz] =     452.492616 [cm-1]
     freq (    2) =      16.407386 [THz] =     547.291502 [cm-1]
     freq (    3) =      21.724356 [THz] =     724.646507 [cm-1]
     freq (    4) =      23.115483 [THz] =     771.049514 [cm-1]
     freq (    5) =      24.167444 [THz] =     806.139149 [cm-1]
     freq (    6) =      27.237671 [THz] =     908.550923 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        452.5  [cm-1]   --> A                  
     freq (  2 -  2) =        547.3  [cm-1]   --> A                  
     freq (  3 -  3) =        724.6  [cm-1]   --> A                  
     freq (  4 -  4) =        771.0  [cm-1]   --> A                  
     freq (  5 -  5) =        806.1  [cm-1]   --> A                  
     freq (  6 -  6) =        908.6  [cm-1]   --> A                  

     Calculation of q =    0.2461168  -0.4262868   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2458
     Max         274     106     43                40750    10246    2477
     Sum         547     211     85                81469    20475    4935
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.56 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.0

     total cpu time spent up to now is      812.4 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.2461168  -0.4262868   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      2h53m CPU      2h59m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time : 10808.7 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.416E-06

      iter #   2 total cpu time : 10823.6 secs   av.it.:  12.4
      thresh= 1.554E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.317E-06

      iter #   3 total cpu time : 10837.8 secs   av.it.:  11.4
      thresh= 2.078E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.172E-08

      iter #   4 total cpu time : 10852.0 secs   av.it.:  11.7
      thresh= 2.484E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.884E-09

      iter #   5 total cpu time : 10867.0 secs   av.it.:  12.5
      thresh= 5.370E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.596E-09

      iter #   6 total cpu time : 10881.2 secs   av.it.:  11.7
      thresh= 5.095E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.130E-12

      iter #   7 total cpu time : 10896.2 secs   av.it.:  12.4
      thresh= 2.032E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.402E-13

      iter #   8 total cpu time : 10910.7 secs   av.it.:  12.0
      thresh= 3.744E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.615E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time : 10921.8 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.570E-07

      iter #   2 total cpu time : 10936.5 secs   av.it.:  12.1
      thresh= 8.106E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.654E-07

      iter #   3 total cpu time : 10950.7 secs   av.it.:  11.4
      thresh= 7.519E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.639E-08

      iter #   4 total cpu time : 10965.1 secs   av.it.:  11.2
      thresh= 2.939E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.171E-09

      iter #   5 total cpu time : 10979.4 secs   av.it.:  11.8
      thresh= 3.423E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.853E-11

      iter #   6 total cpu time : 10994.7 secs   av.it.:  12.3
      thresh= 6.967E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.665E-11

      iter #   7 total cpu time : 11009.0 secs   av.it.:  11.7
      thresh= 5.163E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.101E-13

      iter #   8 total cpu time : 11024.1 secs   av.it.:  11.7
      thresh= 4.584E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.132E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time : 11035.2 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.558E-07

      iter #   2 total cpu time : 11051.2 secs   av.it.:  12.1
      thresh= 7.455E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.693E-07

      iter #   3 total cpu time : 11065.6 secs   av.it.:  11.7
      thresh= 5.190E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.210E-07

      iter #   4 total cpu time : 11079.5 secs   av.it.:  11.2
      thresh= 3.479E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.375E-09

      iter #   5 total cpu time : 11093.7 secs   av.it.:  11.7
      thresh= 3.707E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.430E-11

      iter #   6 total cpu time : 11110.0 secs   av.it.:  12.4
      thresh= 8.019E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.278E-11

      iter #   7 total cpu time : 11124.3 secs   av.it.:  11.6
      thresh= 5.725E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.835E-13

      iter #   8 total cpu time : 11138.4 secs   av.it.:  11.7
      thresh= 6.193E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.233E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time : 11150.0 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.846E-06

      iter #   2 total cpu time : 11164.8 secs   av.it.:  12.3
      thresh= 1.687E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.109E-06

      iter #   3 total cpu time : 11179.4 secs   av.it.:  11.3
      thresh= 2.260E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.972E-08

      iter #   4 total cpu time : 11193.7 secs   av.it.:  11.7
      thresh= 2.641E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.541E-09

      iter #   5 total cpu time : 11208.7 secs   av.it.:  12.6
      thresh= 5.040E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.497E-09

      iter #   6 total cpu time : 11223.0 secs   av.it.:  11.7
      thresh= 4.997E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.905E-12

      iter #   7 total cpu time : 11238.0 secs   av.it.:  12.3
      thresh= 2.215E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.051E-13

      iter #   8 total cpu time : 11252.5 secs   av.it.:  12.0
      thresh= 4.529E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.176E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time : 11264.0 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.391E-06

      iter #   2 total cpu time : 11279.0 secs   av.it.:  12.5
      thresh= 1.179E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.252E-06

      iter #   3 total cpu time : 11293.1 secs   av.it.:  11.5
      thresh= 1.501E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.207E-08

      iter #   4 total cpu time : 11308.6 secs   av.it.:  11.6
      thresh= 2.282E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.879E-09

      iter #   5 total cpu time : 11323.5 secs   av.it.:  12.5
      thresh= 5.366E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.355E-09

      iter #   6 total cpu time : 11337.9 secs   av.it.:  11.8
      thresh= 4.853E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.238E-11

      iter #   7 total cpu time : 11352.5 secs   av.it.:  12.1
      thresh= 3.519E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.592E-13

      iter #   8 total cpu time : 11367.3 secs   av.it.:  12.2
      thresh= 3.990E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.039E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time : 11378.7 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.948E-06

      iter #   2 total cpu time : 11393.6 secs   av.it.:  12.4
      thresh= 1.396E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.342E-06

      iter #   3 total cpu time : 11408.7 secs   av.it.:  11.4
      thresh= 1.828E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.915E-08

      iter #   4 total cpu time : 11422.9 secs   av.it.:  11.7
      thresh= 2.432E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.249E-09

      iter #   5 total cpu time : 11437.9 secs   av.it.:  12.5
      thresh= 5.700E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.770E-09

      iter #   6 total cpu time : 11452.1 secs   av.it.:  11.7
      thresh= 5.263E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.415E-12

      iter #   7 total cpu time : 11467.0 secs   av.it.:  12.2
      thresh= 2.723E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.623E-13

      iter #   8 total cpu time : 11481.5 secs   av.it.:  12.1
      thresh= 4.029E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.543E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.246116817  -0.426286831   0.000000000
          2  -0.246116817   0.426286831   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.246116817  -0.426286831   0.000000000 ) 

 **************************************************************************
     freq (    1) =      11.125532 [THz] =     371.107807 [cm-1]
     freq (    2) =      18.595687 [THz] =     620.285335 [cm-1]
     freq (    3) =      19.046485 [THz] =     635.322345 [cm-1]
     freq (    4) =      22.820951 [THz] =     761.224997 [cm-1]
     freq (    5) =      25.100228 [THz] =     837.253500 [cm-1]
     freq (    6) =      27.971177 [THz] =     933.018040 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        371.1  [cm-1]   --> A                  
     freq (  2 -  2) =        620.3  [cm-1]   --> A                  
     freq (  3 -  3) =        635.3  [cm-1]   --> A                  
     freq (  4 -  4) =        761.2  [cm-1]   --> A                  
     freq (  5 -  5) =        837.3  [cm-1]   --> A                  
     freq (  6 -  6) =        933.0  [cm-1]   --> A                  

     Calculation of q =    0.3691745   0.2131430   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2468
     Max         274     106     43                40750    10246    2491
     Sum         547     211     85                81469    20475    4959
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   156  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.56 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.5

     total cpu time spent up to now is      842.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.3691745   0.2131430   0.0000000 )
 
      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   156  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A'  To be done

     Representation     4      1 modes -A'  To be done

     Representation     5      1 modes -A''  To be done

     Representation     6      1 modes -A''  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      3h 5m CPU      3h12m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time : 11529.8 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.000E-07

      iter #   2 total cpu time : 11538.1 secs   av.it.:  12.0
      thresh= 9.487E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.002E-06

      iter #   3 total cpu time : 11546.0 secs   av.it.:  11.2
      thresh= 1.001E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.030E-07

      iter #   4 total cpu time : 11554.0 secs   av.it.:  11.3
      thresh= 3.209E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.310E-08

      iter #   5 total cpu time : 11563.4 secs   av.it.:  11.9
      thresh= 1.145E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.348E-09

      iter #   6 total cpu time : 11571.9 secs   av.it.:  11.6
      thresh= 4.845E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.215E-11

      iter #   7 total cpu time : 11580.3 secs   av.it.:  12.0
      thresh= 3.485E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.018E-13

      iter #   8 total cpu time : 11588.3 secs   av.it.:  11.3
      thresh= 7.757E-08 alpha_mix =  0.700 |ddv_scf|^2 =  8.612E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time : 11594.9 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.504E-07

      iter #   2 total cpu time : 11603.2 secs   av.it.:  12.1
      thresh= 9.749E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.234E-06

      iter #   3 total cpu time : 11611.2 secs   av.it.:  11.0
      thresh= 1.111E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.611E-08

      iter #   4 total cpu time : 11619.2 secs   av.it.:  11.5
      thresh= 2.934E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.324E-08

      iter #   5 total cpu time : 11627.6 secs   av.it.:  11.9
      thresh= 1.151E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.303E-09

      iter #   6 total cpu time : 11635.8 secs   av.it.:  11.6
      thresh= 4.799E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.374E-11

      iter #   7 total cpu time : 11644.0 secs   av.it.:  11.8
      thresh= 3.707E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.996E-13

      iter #   8 total cpu time : 11652.0 secs   av.it.:  11.3
      thresh= 7.068E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.940E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time : 11658.8 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.771E-06

      iter #   2 total cpu time : 11667.2 secs   av.it.:  12.1
      thresh= 2.402E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.398E-05

      iter #   3 total cpu time : 11675.0 secs   av.it.:  10.9
      thresh= 3.739E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.289E-07

      iter #   4 total cpu time : 11683.2 secs   av.it.:  11.7
      thresh= 3.590E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.994E-08

      iter #   5 total cpu time : 11691.4 secs   av.it.:  11.7
      thresh= 1.412E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.101E-09

      iter #   6 total cpu time : 11699.6 secs   av.it.:  11.6
      thresh= 3.318E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.378E-12

      iter #   7 total cpu time : 11707.9 secs   av.it.:  12.0
      thresh= 2.319E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.053E-13

      iter #   8 total cpu time : 11716.3 secs   av.it.:  12.1
      thresh= 3.245E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.606E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time : 11723.1 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.828E-06

      iter #   2 total cpu time : 11731.5 secs   av.it.:  12.1
      thresh= 2.414E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.421E-05

      iter #   3 total cpu time : 11739.3 secs   av.it.:  10.9
      thresh= 3.770E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.255E-07

      iter #   4 total cpu time : 11747.5 secs   av.it.:  11.7
      thresh= 3.543E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.923E-08

      iter #   5 total cpu time : 11755.8 secs   av.it.:  11.7
      thresh= 1.387E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.029E-09

      iter #   6 total cpu time : 11763.9 secs   av.it.:  11.6
      thresh= 3.207E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.712E-12

      iter #   7 total cpu time : 11772.2 secs   av.it.:  12.0
      thresh= 2.171E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.118E-13

      iter #   8 total cpu time : 11780.5 secs   av.it.:  12.0
      thresh= 3.344E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.179E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time : 11787.0 secs   av.it.:   6.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.673E-07

      iter #   2 total cpu time : 11795.2 secs   av.it.:  11.6
      thresh= 5.171E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.656E-08

      iter #   3 total cpu time : 11802.8 secs   av.it.:  10.9
      thresh= 1.287E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.169E-09

      iter #   4 total cpu time : 11810.4 secs   av.it.:  10.5
      thresh= 3.419E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.076E-13

      iter #   5 total cpu time : 11818.3 secs   av.it.:  11.0
      thresh= 8.986E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.654E-14

      iter #   6 total cpu time : 11826.0 secs   av.it.:  10.6
      thresh= 2.157E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.140E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time : 11832.5 secs   av.it.:   6.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.386E-07

      iter #   2 total cpu time : 11840.7 secs   av.it.:  11.7
      thresh= 4.884E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.334E-08

      iter #   3 total cpu time : 11848.4 secs   av.it.:  11.0
      thresh= 1.155E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.013E-09

      iter #   4 total cpu time : 11855.9 secs   av.it.:  10.3
      thresh= 3.182E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.205E-13

      iter #   5 total cpu time : 11863.7 secs   av.it.:  11.0
      thresh= 9.058E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.575E-14

      iter #   6 total cpu time : 11871.4 secs   av.it.:  10.7
      thresh= 2.139E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.145E-17

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    1
     List of q in the star:
          1   0.369174493   0.213142993   0.000000000
     In addition there is the -q list: 
          1  -0.369174493  -0.213142993   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.369174493   0.213142993   0.000000000 ) 

 **************************************************************************
     freq (    1) =       9.700778 [THz] =     323.583123 [cm-1]
     freq (    2) =      14.561192 [THz] =     485.709078 [cm-1]
     freq (    3) =      21.349568 [THz] =     712.144942 [cm-1]
     freq (    4) =      23.109463 [THz] =     770.848708 [cm-1]
     freq (    5) =      24.271884 [THz] =     809.622900 [cm-1]
     freq (    6) =      29.961202 [THz] =     999.398124 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        323.6  [cm-1]   --> A'                 
     freq (  2 -  2) =        485.7  [cm-1]   --> A''                
     freq (  3 -  3) =        712.1  [cm-1]   --> A'                 
     freq (  4 -  4) =        770.8  [cm-1]   --> A''                
     freq (  5 -  5) =        809.6  [cm-1]   --> A'                 
     freq (  6 -  6) =        999.4  [cm-1]   --> A'                 

     Calculation of q =    0.3691744   0.3552385   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2588
     Max         274     106     43                40750    10246    2613
     Sum         547     211     85                81469    20475    5201
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.57 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.5

     total cpu time spent up to now is      898.4 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.3691744   0.3552385   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      3h11m CPU      3h19m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time : 11952.7 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.351E-06

      iter #   2 total cpu time : 11967.6 secs   av.it.:  12.5
      thresh= 1.162E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.061E-06

      iter #   3 total cpu time : 11984.6 secs   av.it.:  11.7
      thresh= 1.435E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.797E-08

      iter #   4 total cpu time : 11998.9 secs   av.it.:  11.8
      thresh= 2.792E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.557E-09

      iter #   5 total cpu time : 12013.6 secs   av.it.:  12.1
      thresh= 9.250E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.001E-09

      iter #   6 total cpu time : 12027.7 secs   av.it.:  11.6
      thresh= 4.474E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.731E-12

      iter #   7 total cpu time : 12042.7 secs   av.it.:  12.5
      thresh= 2.175E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.653E-14

      iter #   8 total cpu time : 12057.3 secs   av.it.:  12.1
      thresh= 2.766E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.980E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time : 12068.5 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.038E-07

      iter #   2 total cpu time : 12083.1 secs   av.it.:  12.1
      thresh= 7.771E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.443E-07

      iter #   3 total cpu time : 12097.4 secs   av.it.:  11.7
      thresh= 5.868E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.470E-08

      iter #   4 total cpu time : 12111.4 secs   av.it.:  11.5
      thresh= 2.910E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.171E-09

      iter #   5 total cpu time : 12126.1 secs   av.it.:  12.1
      thresh= 7.855E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.340E-09

      iter #   6 total cpu time : 12140.3 secs   av.it.:  11.7
      thresh= 4.837E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.447E-12

      iter #   7 total cpu time : 12154.9 secs   av.it.:  12.1
      thresh= 3.074E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.033E-13

      iter #   8 total cpu time : 12169.5 secs   av.it.:  11.8
      thresh= 5.507E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.589E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time : 12180.6 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.633E-07

      iter #   2 total cpu time : 12196.0 secs   av.it.:  12.1
      thresh= 7.505E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.445E-07

      iter #   3 total cpu time : 12210.4 secs   av.it.:  11.8
      thresh= 4.944E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.918E-08

      iter #   4 total cpu time : 12224.5 secs   av.it.:  11.6
      thresh= 2.814E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.450E-09

      iter #   5 total cpu time : 12239.3 secs   av.it.:  12.2
      thresh= 6.671E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.642E-09

      iter #   6 total cpu time : 12253.4 secs   av.it.:  11.6
      thresh= 5.140E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.403E-11

      iter #   7 total cpu time : 12268.0 secs   av.it.:  12.0
      thresh= 3.746E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.889E-13

      iter #   8 total cpu time : 12282.3 secs   av.it.:  11.8
      thresh= 5.375E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.002E-14

      iter #   9 total cpu time : 12296.5 secs   av.it.:  11.6
      thresh= 1.001E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.115E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time : 12308.0 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.492E-06

      iter #   2 total cpu time : 12322.9 secs   av.it.:  12.4
      thresh= 1.222E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.280E-06

      iter #   3 total cpu time : 12337.0 secs   av.it.:  11.5
      thresh= 1.510E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.720E-08

      iter #   4 total cpu time : 12351.5 secs   av.it.:  11.9
      thresh= 2.592E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.085E-08

      iter #   5 total cpu time : 12366.0 secs   av.it.:  12.0
      thresh= 1.042E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.427E-09

      iter #   6 total cpu time : 12380.3 secs   av.it.:  11.7
      thresh= 3.777E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.150E-12

      iter #   7 total cpu time : 12395.2 secs   av.it.:  12.5
      thresh= 2.480E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.206E-13

      iter #   8 total cpu time : 12409.8 secs   av.it.:  12.1
      thresh= 4.696E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.360E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time : 12421.4 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.626E-06

      iter #   2 total cpu time : 12436.4 secs   av.it.:  12.5
      thresh= 1.621E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.677E-06

      iter #   3 total cpu time : 12451.8 secs   av.it.:  11.6
      thresh= 2.163E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.603E-08

      iter #   4 total cpu time : 12466.2 secs   av.it.:  11.9
      thresh= 3.099E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.395E-08

      iter #   5 total cpu time : 12480.7 secs   av.it.:  11.9
      thresh= 1.181E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.421E-09

      iter #   6 total cpu time : 12495.0 secs   av.it.:  11.7
      thresh= 3.769E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.039E-12

      iter #   7 total cpu time : 12510.1 secs   av.it.:  12.4
      thresh= 2.457E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.019E-13

      iter #   8 total cpu time : 12524.9 secs   av.it.:  12.3
      thresh= 3.193E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.927E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time : 12536.5 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.830E-06

      iter #   2 total cpu time : 12552.1 secs   av.it.:  12.5
      thresh= 1.682E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.999E-06

      iter #   3 total cpu time : 12567.5 secs   av.it.:  11.5
      thresh= 2.236E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.316E-08

      iter #   4 total cpu time : 12583.9 secs   av.it.:  12.0
      thresh= 3.052E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.772E-08

      iter #   5 total cpu time : 12598.3 secs   av.it.:  11.9
      thresh= 1.331E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.386E-09

      iter #   6 total cpu time : 12612.7 secs   av.it.:  11.8
      thresh= 3.723E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.884E-12

      iter #   7 total cpu time : 12627.8 secs   av.it.:  12.6
      thresh= 2.426E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.715E-13

      iter #   8 total cpu time : 12642.4 secs   av.it.:  12.2
      thresh= 5.211E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.484E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.369174371   0.355238533   0.000000000
          2   0.492232780   0.142095118   0.000000000
     In addition there is the -q list: 
          1  -0.369174371  -0.355238533   0.000000000
          2  -0.492232780  -0.142095118   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.369174371   0.355238533   0.000000000 ) 

 **************************************************************************
     freq (    1) =      11.713683 [THz] =     390.726399 [cm-1]
     freq (    2) =      17.040628 [THz] =     568.414182 [cm-1]
     freq (    3) =      19.775679 [THz] =     659.645634 [cm-1]
     freq (    4) =      22.776258 [THz] =     759.734199 [cm-1]
     freq (    5) =      24.954625 [THz] =     832.396688 [cm-1]
     freq (    6) =      29.061961 [THz] =     969.402687 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        390.7  [cm-1]   --> A                  
     freq (  2 -  2) =        568.4  [cm-1]   --> A                  
     freq (  3 -  3) =        659.6  [cm-1]   --> A                  
     freq (  4 -  4) =        759.7  [cm-1]   --> A                  
     freq (  5 -  5) =        832.4  [cm-1]   --> A                  
     freq (  6 -  6) =        969.4  [cm-1]   --> A                  

     Calculation of q =    0.3691742   0.4973341   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     43                40719    10229    2728
     Max         274     106     48                40750    10246    2745
     Sum         547     211     91                81469    20475    5473
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.29 MB

     Estimated total dynamical RAM >      82.57 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.5

     total cpu time spent up to now is      954.6 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.3691742   0.4973341   0.0000000 )
 
     No symmetry!

     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10229 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=   288  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      3h24m CPU      3h31m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time : 12724.7 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.339E-06

      iter #   2 total cpu time : 12740.0 secs   av.it.:  12.6
      thresh= 1.157E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.399E-06

      iter #   3 total cpu time : 12754.5 secs   av.it.:  11.9
      thresh= 1.183E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.316E-08

      iter #   4 total cpu time : 12769.1 secs   av.it.:  11.9
      thresh= 2.884E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.314E-09

      iter #   5 total cpu time : 12784.2 secs   av.it.:  12.4
      thresh= 5.757E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.591E-09

      iter #   6 total cpu time : 12798.6 secs   av.it.:  11.7
      thresh= 5.090E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.612E-11

      iter #   7 total cpu time : 12813.5 secs   av.it.:  12.2
      thresh= 4.016E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.727E-13

      iter #   8 total cpu time : 12828.4 secs   av.it.:  12.3
      thresh= 4.155E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.019E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time : 12839.7 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.001E-07

      iter #   2 total cpu time : 12854.4 secs   av.it.:  12.1
      thresh= 7.071E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.971E-07

      iter #   3 total cpu time : 12869.3 secs   av.it.:  12.1
      thresh= 4.439E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.037E-08

      iter #   4 total cpu time : 12883.8 secs   av.it.:  11.8
      thresh= 2.835E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.460E-09

      iter #   5 total cpu time : 12898.9 secs   av.it.:  12.3
      thresh= 3.821E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.274E-10

      iter #   6 total cpu time : 12913.4 secs   av.it.:  11.7
      thresh= 3.045E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.065E-12

      iter #   7 total cpu time : 12928.1 secs   av.it.:  11.9
      thresh= 3.011E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.582E-13

      iter #   8 total cpu time : 12942.6 secs   av.it.:  11.8
      thresh= 3.977E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.011E-14

      iter #   9 total cpu time : 12957.5 secs   av.it.:  11.7
      thresh= 1.005E-08 alpha_mix =  0.700 |ddv_scf|^2 =  6.227E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time : 12968.7 secs   av.it.:   6.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.106E-07

      iter #   2 total cpu time : 12984.0 secs   av.it.:  12.1
      thresh= 7.146E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.327E-07

      iter #   3 total cpu time : 12998.8 secs   av.it.:  12.0
      thresh= 4.824E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.324E-08

      iter #   4 total cpu time : 13013.2 secs   av.it.:  11.8
      thresh= 2.706E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.823E-09

      iter #   5 total cpu time : 13028.3 secs   av.it.:  12.3
      thresh= 4.269E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.021E-09

      iter #   6 total cpu time : 13042.6 secs   av.it.:  11.7
      thresh= 3.196E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.495E-11

      iter #   7 total cpu time : 13057.4 secs   av.it.:  11.9
      thresh= 3.866E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.599E-13

      iter #   8 total cpu time : 13071.9 secs   av.it.:  11.9
      thresh= 5.999E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.693E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time : 13083.6 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.074E-06

      iter #   2 total cpu time : 13098.7 secs   av.it.:  12.5
      thresh= 1.036E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.042E-07

      iter #   3 total cpu time : 13113.5 secs   av.it.:  11.9
      thresh= 9.509E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.591E-08

      iter #   4 total cpu time : 13128.0 secs   av.it.:  11.8
      thresh= 2.931E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.585E-09

      iter #   5 total cpu time : 13143.1 secs   av.it.:  12.4
      thresh= 5.085E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.029E-09

      iter #   6 total cpu time : 13157.5 secs   av.it.:  11.8
      thresh= 4.504E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.063E-11

      iter #   7 total cpu time : 13172.3 secs   av.it.:  12.1
      thresh= 4.542E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.487E-13

      iter #   8 total cpu time : 13187.2 secs   av.it.:  12.3
      thresh= 3.856E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.273E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time : 13199.0 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.986E-06

      iter #   2 total cpu time : 13214.2 secs   av.it.:  12.6
      thresh= 1.409E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.719E-06

      iter #   3 total cpu time : 13228.6 secs   av.it.:  11.8
      thresh= 1.649E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.821E-08

      iter #   4 total cpu time : 13243.3 secs   av.it.:  12.0
      thresh= 2.612E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.652E-09

      iter #   5 total cpu time : 13258.4 secs   av.it.:  12.4
      thresh= 6.821E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.834E-09

      iter #   6 total cpu time : 13273.0 secs   av.it.:  11.7
      thresh= 5.323E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.454E-11

      iter #   7 total cpu time : 13287.8 secs   av.it.:  12.2
      thresh= 3.814E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.360E-13

      iter #   8 total cpu time : 13302.8 secs   av.it.:  12.3
      thresh= 4.858E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.488E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time : 13314.4 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.733E-06

      iter #   2 total cpu time : 13329.7 secs   av.it.:  12.6
      thresh= 1.316E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.189E-06

      iter #   3 total cpu time : 13344.2 secs   av.it.:  11.8
      thresh= 1.480E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.430E-08

      iter #   4 total cpu time : 13358.9 secs   av.it.:  11.9
      thresh= 2.726E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.612E-09

      iter #   5 total cpu time : 13373.9 secs   av.it.:  12.4
      thresh= 6.792E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.127E-09

      iter #   6 total cpu time : 13388.4 secs   av.it.:  11.7
      thresh= 5.592E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.710E-11

      iter #   7 total cpu time : 13403.3 secs   av.it.:  12.2
      thresh= 4.136E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.245E-13

      iter #   8 total cpu time : 13418.3 secs   av.it.:  12.3
      thresh= 4.739E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.105E-15

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    2
     List of q in the star:
          1   0.369174249   0.497334073   0.000000000
          2   0.615291066   0.071047242   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.369174249   0.497334073   0.000000000 ) 

 **************************************************************************
     freq (    1) =      13.630202 [THz] =     454.654606 [cm-1]
     freq (    2) =      16.446328 [THz] =     548.590468 [cm-1]
     freq (    3) =      21.702568 [THz] =     723.919753 [cm-1]
     freq (    4) =      22.917526 [THz] =     764.446371 [cm-1]
     freq (    5) =      24.899821 [THz] =     830.568616 [cm-1]
     freq (    6) =      26.656070 [THz] =     889.150775 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        454.7  [cm-1]   --> A                  
     freq (  2 -  2) =        548.6  [cm-1]   --> A                  
     freq (  3 -  3) =        723.9  [cm-1]   --> A                  
     freq (  4 -  4) =        764.4  [cm-1]   --> A                  
     freq (  5 -  5) =        830.6  [cm-1]   --> A                  
     freq (  6 -  6) =        889.2  [cm-1]   --> A                  

     Calculation of q =   -0.4922327  -0.2841907   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         273     105     42                40719    10229    2576
     Max         274     106     43                40750    10246    2601
     Sum         547     211     85                81469    20475    5177
 

     Title: 
     N_ab.ph.disp.inp                                                           


     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            9
     kinetic-energy cutoff     =      41.0000  Ry
     charge density cutoff     =     410.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   4.330875  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.015779   0.000001   0.000000 )  
               a(2) = (  -0.507889   0.879689   0.000000 )  
               a(3) = (   0.000000   0.000000   8.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.984465  0.568381  0.000000 )  
               b(2) = ( -0.000001  1.136764  0.000000 )  
               b(3) = (  0.000000  0.000000  0.125000 )  


     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        N              5.00    14.00700     N ( 1.00)

      2 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           N   tau(   1) = (   0.5000005   0.2886783   0.3063695  )
         2           N   tau(   2) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=    86  gaussian smearing, width (Ry)=  0.0500
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0138889
        k(    2) = (  -0.4922327  -0.2841907   0.0000000), wk =   0.0000000
        k(    3) = (  -0.0000001   0.0947304   0.0000000), wk =   0.0555556
        k(    4) = (  -0.4922327  -0.1894603   0.0000000), wk =   0.0000000
        k(    5) = (  -0.0000002   0.1894607   0.0000000), wk =   0.0555556
        k(    6) = (  -0.4922328  -0.0947299   0.0000000), wk =   0.0000000
        k(    7) = (  -0.0000002   0.2841911   0.0000000), wk =   0.0555556
        k(    8) = (  -0.4922329   0.0000004   0.0000000), wk =   0.0000000
        k(    9) = (  -0.0000003   0.3789214   0.0000000), wk =   0.0555556
        k(   10) = (  -0.4922330   0.0947308   0.0000000), wk =   0.0000000
        k(   11) = (  -0.0000004   0.4736518   0.0000000), wk =   0.0555556
        k(   12) = (  -0.4922331   0.1894611   0.0000000), wk =   0.0000000
        k(   13) = (   0.0000005  -0.5683822   0.0000000), wk =   0.0277778
        k(   14) = (  -0.4922322  -0.8525728   0.0000000), wk =   0.0000000
        k(   15) = (   0.0820388   0.0473651   0.0000000), wk =   0.0277778
        k(   16) = (  -0.4101939  -0.2368255   0.0000000), wk =   0.0000000
        k(   17) = (   0.0820387   0.1420955   0.0000000), wk =   0.0555556
        k(   18) = (  -0.4101940  -0.1420952   0.0000000), wk =   0.0000000
        k(   19) = (   0.0820386   0.2368258   0.0000000), wk =   0.0555556
        k(   20) = (  -0.4101940  -0.0473648   0.0000000), wk =   0.0000000
        k(   21) = (   0.0820385   0.3315562   0.0000000), wk =   0.0555556
        k(   22) = (  -0.4101941   0.0473655   0.0000000), wk =   0.0000000
        k(   23) = (   0.0820385   0.4262865   0.0000000), wk =   0.0555556
        k(   24) = (  -0.4101942   0.1420959   0.0000000), wk =   0.0000000
        k(   25) = (   0.0820384   0.5210169   0.0000000), wk =   0.0555556
        k(   26) = (  -0.4101943   0.2368263   0.0000000), wk =   0.0000000
        k(   27) = (   0.0820393  -0.5210171   0.0000000), wk =   0.0555556
        k(   28) = (  -0.4101934  -0.8052077   0.0000000), wk =   0.0000000
        k(   29) = (   0.0820392  -0.4262867   0.0000000), wk =   0.0555556
        k(   30) = (  -0.4101935  -0.7104773   0.0000000), wk =   0.0000000
        k(   31) = (   0.0820391  -0.3315563   0.0000000), wk =   0.0555556
        k(   32) = (  -0.4101936  -0.6157470   0.0000000), wk =   0.0000000
        k(   33) = (   0.0820390  -0.2368260   0.0000000), wk =   0.0555556
        k(   34) = (  -0.4101936  -0.5210166   0.0000000), wk =   0.0000000
        k(   35) = (   0.0820389  -0.1420956   0.0000000), wk =   0.0277778
        k(   36) = (  -0.4101937  -0.4262863   0.0000000), wk =   0.0000000
        k(   37) = (   0.1640776   0.0947302   0.0000000), wk =   0.0277778
        k(   38) = (  -0.3281551  -0.1894604   0.0000000), wk =   0.0000000
        k(   39) = (   0.1640775   0.1894606   0.0000000), wk =   0.0555556
        k(   40) = (  -0.3281552  -0.0947301   0.0000000), wk =   0.0000000
        k(   41) = (   0.1640774   0.2841909   0.0000000), wk =   0.0555556
        k(   42) = (  -0.3281553   0.0000003   0.0000000), wk =   0.0000000
        k(   43) = (   0.1640773   0.3789213   0.0000000), wk =   0.0555556
        k(   44) = (  -0.3281553   0.0947306   0.0000000), wk =   0.0000000
        k(   45) = (   0.1640772   0.4736517   0.0000000), wk =   0.0555556
        k(   46) = (  -0.3281554   0.1894610   0.0000000), wk =   0.0000000
        k(   47) = (   0.1640771   0.5683820   0.0000000), wk =   0.0555556
        k(   48) = (  -0.3281555   0.2841914   0.0000000), wk =   0.0000000
        k(   49) = (   0.1640780  -0.4736519   0.0000000), wk =   0.0555556
        k(   50) = (  -0.3281546  -0.7578426   0.0000000), wk =   0.0000000
        k(   51) = (   0.1640780  -0.3789216   0.0000000), wk =   0.0555556
        k(   52) = (  -0.3281547  -0.6631122   0.0000000), wk =   0.0000000
        k(   53) = (   0.1640779  -0.2841912   0.0000000), wk =   0.0277778
        k(   54) = (  -0.3281548  -0.5683819   0.0000000), wk =   0.0000000
        k(   55) = (   0.2461163   0.1420953   0.0000000), wk =   0.0277778
        k(   56) = (  -0.2461163  -0.1420953   0.0000000), wk =   0.0000000
        k(   57) = (   0.2461162   0.2368257   0.0000000), wk =   0.0555556
        k(   58) = (  -0.2461164  -0.0473650   0.0000000), wk =   0.0000000
        k(   59) = (   0.2461162   0.3315560   0.0000000), wk =   0.0555556
        k(   60) = (  -0.2461165   0.0473654   0.0000000), wk =   0.0000000
        k(   61) = (   0.2461161   0.4262864   0.0000000), wk =   0.0555556
        k(   62) = (  -0.2461166   0.1420958   0.0000000), wk =   0.0000000
        k(   63) = (   0.2461160   0.5210168   0.0000000), wk =   0.0555556
        k(   64) = (  -0.2461167   0.2368261   0.0000000), wk =   0.0000000
        k(   65) = (   0.2461159   0.6157471   0.0000000), wk =   0.0555556
        k(   66) = (  -0.2461167   0.3315565   0.0000000), wk =   0.0000000
        k(   67) = (   0.2461168  -0.4262868   0.0000000), wk =   0.0277778
        k(   68) = (  -0.2461158  -0.7104775   0.0000000), wk =   0.0000000
        k(   69) = (   0.3281551   0.1894604   0.0000000), wk =   0.0277778
        k(   70) = (  -0.1640776  -0.0947302   0.0000000), wk =   0.0000000
        k(   71) = (   0.3281550   0.2841908   0.0000000), wk =   0.0555556
        k(   72) = (  -0.1640776   0.0000001   0.0000000), wk =   0.0000000
        k(   73) = (   0.3281549   0.3789212   0.0000000), wk =   0.0555556
        k(   74) = (  -0.1640777   0.0947305   0.0000000), wk =   0.0000000
        k(   75) = (   0.3281549   0.4736515   0.0000000), wk =   0.0555556
        k(   76) = (  -0.1640778   0.1894609   0.0000000), wk =   0.0000000
        k(   77) = (   0.3281548   0.5683819   0.0000000), wk =   0.0277778
        k(   78) = (  -0.1640779   0.2841912   0.0000000), wk =   0.0000000
        k(   79) = (   0.4101939   0.2368255   0.0000000), wk =   0.0277778
        k(   80) = (  -0.0820388  -0.0473651   0.0000000), wk =   0.0000000
        k(   81) = (   0.4101938   0.3315559   0.0000000), wk =   0.0555556
        k(   82) = (  -0.0820389   0.0473653   0.0000000), wk =   0.0000000
        k(   83) = (   0.4101937   0.4262863   0.0000000), wk =   0.0277778
        k(   84) = (  -0.0820389   0.1420956   0.0000000), wk =   0.0000000
        k(   85) = (  -0.4922327  -0.2841907   0.0000000), wk =   0.0138889
        k(   86) = (  -0.9844653  -0.5683813   0.0000000), wk =   0.0000000

     Dense  grid:    81469 G-vectors     FFT dimensions: (  30,  30, 225)

     Smooth grid:    20475 G-vectors     FFT dimensions: (  18,  18, 144)

     Estimated max dynamical RAM per process >      41.28 MB

     Estimated total dynamical RAM >      82.57 MB
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D
  The code is running with the 2D cutoff
  Please refer to:
  Sohier, T., Calandra, M., & Mauri, F. (2017), 
  Density functional perturbation theory for gated two-dimensional heterostructu
 res:
  Theoretical developments and application to flexural phonons in graphene.
  Physical Review B, 96(7), 75448. https://doi.org/10.1103/PhysRevB.96.075448
 ----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D----2D

     Check: negative core charge=   -0.000001

     The potential is recalculated from file :
     ./tempdir/_ph0/N_ab.save/charge-density


     negative rho (up, down):  6.878E-05 0.000E+00
     Starting wfcs are    8 atomic +    1 random wfcs
     Checking if some PAW data can be deallocated... 

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 25.1

     total cpu time spent up to now is      971.8 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (  2621 PWs)   bands (ev):

   -32.0643 -16.8062 -11.1667 -10.6751  -8.0669  -3.0768  -3.0258  -2.3986
    -0.5065

          k =-0.4922-0.2842 0.0000 (  2544 PWs)   bands (ev):

   -26.3092 -23.8133 -14.0745 -12.0415  -9.7126  -3.7589   0.0710   0.2208
     7.0696

          k = 0.0000 0.0947 0.0000 (  2613 PWs)   bands (ev):

   -31.8708 -16.6347 -11.9265 -11.2806  -7.9812  -3.1601  -2.2901  -2.1287
    -0.2554

          k =-0.4922-0.1895 0.0000 (  2543 PWs)   bands (ev):

   -26.5558 -23.2985 -14.7923 -12.1109  -9.4847  -3.0138  -0.5513   0.6562
     6.6442

          k = 0.0000 0.1895 0.0000 (  2618 PWs)   bands (ev):

   -31.2938 -16.1711 -14.1488 -12.0664  -7.7885  -3.5596  -1.4772  -0.8348
     0.4912

          k =-0.4922-0.0947 0.0000 (  2547 PWs)   bands (ev):

   -26.9192 -22.2506 -16.1910 -12.2867  -9.0308  -1.7310  -0.9484   0.8051
     6.1893

          k = 0.0000 0.2842 0.0000 (  2596 PWs)   bands (ev):

   -30.3461 -17.0981 -15.0743 -12.9002  -7.7158  -3.9829  -0.6895   0.0459
     1.7294

          k =-0.4922 0.0000 0.0000 (  2546 PWs)   bands (ev):

   -27.0843 -21.5604 -17.0153 -12.3853  -8.7774  -1.7758  -0.1734   0.5148
     6.0363

          k = 0.0000 0.3789 0.0000 (  2582 PWs)   bands (ev):

   -29.0613 -19.7117 -14.0407 -13.6009  -8.0940  -4.1112  -0.1500   0.1755
     3.4461

          k =-0.4922 0.0947 0.0000 (  2547 PWs)   bands (ev):

   -26.9943 -22.0453 -16.3110 -12.3324  -8.9381  -2.0037  -0.6520   0.5437
     6.2042

          k = 0.0000 0.4737 0.0000 (  2556 PWs)   bands (ev):

   -27.5562 -22.0945 -14.0589 -12.8515  -8.9266  -3.9983  -0.1927   0.2949
     5.4525

          k =-0.4922 0.1895 0.0000 (  2543 PWs)   bands (ev):

   -26.7294 -22.9598 -14.9351 -12.2070  -9.3188  -3.1862  -0.6077   0.5351
     6.6670

          k = 0.0000-0.5684 0.0000 (  2544 PWs)   bands (ev):

   -26.5588 -23.3929 -14.2159 -12.1652  -9.5150  -3.9247  -0.3016   0.3815
     7.1080

          k =-0.4922-0.8526 0.0000 (  2544 PWs)   bands (ev):

   -26.5589 -23.3926 -14.2160 -12.1653  -9.5149  -3.9248  -0.3017   0.3815
     7.1080

          k = 0.0820 0.0474 0.0000 (  2613 PWs)   bands (ev):

   -31.8697 -16.6345 -12.1732 -11.0210  -7.9863  -2.9731  -2.6954  -1.8991
    -0.2547

          k =-0.4102-0.2368 0.0000 (  2556 PWs)   bands (ev):

   -27.4516 -22.3730 -13.9115 -12.7883  -9.0575  -3.8347   0.1048   0.1860
     5.4504

          k = 0.0820 0.1421 0.0000 (  2613 PWs)   bands (ev):

   -31.4831 -16.3119 -13.5924 -11.7890  -7.8487  -2.7749  -2.5846  -0.8667
     0.2448

          k =-0.4102-0.1421 0.0000 (  2566 PWs)   bands (ev):

   -28.1227 -21.1706 -14.4465 -13.2464  -8.5559  -3.2019  -0.3827   0.4573
     4.6232

          k = 0.0820 0.2368 0.0000 (  2613 PWs)   bands (ev):

   -30.7185 -16.2438 -15.1881 -12.8951  -7.7053  -3.1757  -1.6310   0.1163
     1.2348

          k =-0.4102-0.0474 0.0000 (  2572 PWs)   bands (ev):

   -28.4789 -20.0679 -15.4770 -13.5122  -8.1981  -1.9138  -1.0326   0.5026
     4.2058

          k = 0.0820 0.3316 0.0000 (  2586 PWs)   bands (ev):

   -29.5963 -18.5077 -14.4791 -13.8527  -7.8371  -3.4412  -0.6830   0.3312
     2.7263

          k =-0.4102 0.0474 0.0000 (  2572 PWs)   bands (ev):

   -28.4950 -19.9727 -15.5476 -13.5245  -8.1639  -2.1206  -0.7692   0.3207
     4.2180

          k = 0.0820 0.4263 0.0000 (  2566 PWs)   bands (ev):

   -28.1751 -20.9651 -14.5741 -13.2862  -8.4635  -3.3883  -0.1709   0.1372
     4.6305

          k =-0.4102 0.1421 0.0000 (  2566 PWs)   bands (ev):

   -28.1751 -20.9649 -14.5742 -13.2862  -8.4635  -3.3884  -0.1710   0.1371
     4.6305

          k = 0.0820 0.5210 0.0000 (  2543 PWs)   bands (ev):

   -26.7293 -22.9601 -14.9350 -12.2069  -9.3189  -3.1861  -0.6076   0.5351
     6.6670

          k =-0.4102 0.2368 0.0000 (  2556 PWs)   bands (ev):

   -27.5563 -22.0943 -14.0590 -12.8516  -8.9265  -3.9984  -0.1928   0.2949
     5.4525

          k = 0.0820-0.5210 0.0000 (  2543 PWs)   bands (ev):

   -26.7427 -22.9311 -14.9561 -12.2054  -9.3195  -3.1355  -0.7420   0.6241
     6.6495

          k =-0.4102-0.8052 0.0000 (  2543 PWs)   bands (ev):

   -26.7428 -22.9309 -14.9562 -12.2055  -9.3194  -3.1356  -0.7420   0.6240
     6.6495

          k = 0.0820-0.4263 0.0000 (  2566 PWs)   bands (ev):

   -28.1898 -20.8989 -14.6448 -13.2786  -8.4638  -3.3081  -0.4822   0.3657
     4.6191

          k =-0.4102-0.7105 0.0000 (  2540 PWs)   bands (ev):

   -25.9956 -23.2324 -16.5869 -11.6127  -9.5222  -1.6860  -1.1773   0.9232
     7.8934

          k = 0.0820-0.3316 0.0000 (  2586 PWs)   bands (ev):

   -29.6066 -18.3952 -14.5052 -13.9474  -7.8319  -3.4109  -0.5696   0.1467
     2.7281

          k =-0.4102-0.6157 0.0000 (  2558 PWs)   bands (ev):

   -25.6201 -23.0469 -17.8801 -11.2929  -9.5396  -2.1681   0.4187   0.9287
     8.0532

          k = 0.0820-0.2368 0.0000 (  2613 PWs)   bands (ev):

   -30.7250 -16.1281 -15.1062 -13.1105  -7.6933  -3.2376  -1.3907  -0.1291
     1.2372

          k =-0.4102-0.5210 0.0000 (  2558 PWs)   bands (ev):

   -25.5082 -23.2461 -17.7950 -11.2380  -9.6202  -2.1155   0.2632   1.1532
     8.0336

          k = 0.0820-0.1421 0.0000 (  2613 PWs)   bands (ev):

   -31.4866 -16.3101 -13.2606 -12.1456  -7.8366  -3.0844  -2.1099  -1.0756
     0.2434

          k =-0.4102-0.4263 0.0000 (  2540 PWs)   bands (ev):

   -25.7409 -23.6559 -16.4257 -11.4966  -9.6988  -1.4490  -1.2813   1.0734
     7.8557

          k = 0.1641 0.0947 0.0000 (  2618 PWs)   bands (ev):

   -31.2886 -16.1786 -14.3799 -11.8214  -7.8050  -3.3821  -1.8305  -0.5779
     0.4928

          k =-0.3282-0.1895 0.0000 (  2582 PWs)   bands (ev):

   -29.0235 -19.9331 -14.0165 -13.4374  -8.1682  -3.9495  -0.2677   0.4144
     3.4437

          k = 0.1641 0.1895 0.0000 (  2613 PWs)   bands (ev):

   -30.7138 -16.3155 -15.2253 -12.7932  -7.7197  -3.0176  -1.7867   0.1868
     1.2355

          k =-0.3282-0.0947 0.0000 (  2586 PWs)   bands (ev):

   -29.5792 -18.6616 -14.4762 -13.7222  -7.8824  -3.2725  -0.8343   0.5019
     2.7244

          k = 0.1641 0.2842 0.0000 (  2599 PWs)   bands (ev):

   -29.7716 -17.9278 -14.5917 -14.2890  -7.7689  -2.0664  -1.8379   0.5317
     2.4851

          k =-0.3282 0.0000 0.0000 (  2599 PWs)   bands (ev):

   -29.7716 -17.9276 -14.5917 -14.2891  -7.7689  -2.0665  -1.8378   0.5316
     2.4851

          k = 0.1641 0.3789 0.0000 (  2572 PWs)   bands (ev):

   -28.4949 -19.9729 -15.5474 -13.5245  -8.1639  -2.1206  -0.7693   0.3208
     4.2180

          k =-0.3282 0.0947 0.0000 (  2586 PWs)   bands (ev):

   -29.5964 -18.5076 -14.4791 -13.8529  -7.8371  -3.4413  -0.6830   0.3311
     2.7263

          k = 0.1641 0.4737 0.0000 (  2547 PWs)   bands (ev):

   -26.9942 -22.0455 -16.3109 -12.3323  -8.9382  -2.0037  -0.6519   0.5437
     6.2042

          k =-0.3282 0.1895 0.0000 (  2582 PWs)   bands (ev):

   -29.0613 -19.7115 -14.0407 -13.6010  -8.0940  -4.1113  -0.1500   0.1755
     3.4461

          k = 0.1641 0.5684 0.0000 (  2540 PWs)   bands (ev):

   -25.9954 -23.2326 -16.5867 -11.6126  -9.5223  -1.6861  -1.1772   0.9232
     7.8934

          k =-0.3282 0.2842 0.0000 (  2566 PWs)   bands (ev):

   -28.1898 -20.8988 -14.6449 -13.2786  -8.4638  -3.3082  -0.4822   0.3657
     4.6191

          k = 0.1641-0.4737 0.0000 (  2547 PWs)   bands (ev):

   -27.0325 -21.9281 -16.3992 -12.3412  -8.9187  -1.6440  -1.2117   0.7220
     6.1695

          k =-0.3282-0.7578 0.0000 (  2547 PWs)   bands (ev):

   -27.0326 -21.9280 -16.3993 -12.3413  -8.9186  -1.6441  -1.2116   0.7220
     6.1695

          k = 0.1641-0.3789 0.0000 (  2572 PWs)   bands (ev):

   -28.5237 -19.7710 -15.7396 -13.5286  -8.1386  -1.9790  -0.9284   0.2568
     4.2015

          k =-0.3282-0.6631 0.0000 (  2558 PWs)   bands (ev):

   -25.6964 -22.8985 -17.9550 -11.3212  -9.4976  -2.1414   0.2295   1.0512
     8.0216

          k = 0.1641-0.2842 0.0000 (  2599 PWs)   bands (ev):

   -29.7904 -17.6499 -14.5826 -14.5818  -7.7406  -2.4028  -1.3071   0.1923
     2.4891

          k =-0.3282-0.5684 0.0000 (  2550 PWs)   bands (ev):

   -24.3996 -24.0506 -18.5235 -10.3882 -10.2568  -2.4653   0.9577   1.2720
     9.4911

          k = 0.2461 0.1421 0.0000 (  2596 PWs)   bands (ev):

   -30.3314 -17.3033 -15.0800 -12.7026  -7.7541  -3.8177  -0.9331   0.3068
     1.7290

          k =-0.2461-0.1421 0.0000 (  2596 PWs)   bands (ev):

   -30.3314 -17.3033 -15.0800 -12.7026  -7.7541  -3.8177  -0.9331   0.3068
     1.7290

          k = 0.2461 0.2368 0.0000 (  2586 PWs)   bands (ev):

   -29.5792 -18.6617 -14.4762 -13.7222  -7.8824  -3.2726  -0.8343   0.5019
     2.7244

          k =-0.2461-0.0474 0.0000 (  2613 PWs)   bands (ev):

   -30.7138 -16.3154 -15.2253 -12.7933  -7.7197  -3.0176  -1.7867   0.1868
     1.2355

          k = 0.2461 0.3316 0.0000 (  2572 PWs)   bands (ev):

   -28.4789 -20.0680 -15.4769 -13.5121  -8.1982  -1.9139  -1.0325   0.5027
     4.2058

          k =-0.2461 0.0474 0.0000 (  2613 PWs)   bands (ev):

   -30.7185 -16.2436 -15.1880 -12.8952  -7.7053  -3.1758  -1.6310   0.1163
     1.2348

          k = 0.2461 0.4263 0.0000 (  2546 PWs)   bands (ev):

   -27.0842 -21.5606 -17.0152 -12.3853  -8.7775  -1.7759  -0.1734   0.5148
     6.0363

          k =-0.2461 0.1421 0.0000 (  2596 PWs)   bands (ev):

   -30.3461 -17.0980 -15.0743 -12.9003  -7.7158  -3.9830  -0.6895   0.0458
     1.7294

          k = 0.2461 0.5210 0.0000 (  2558 PWs)   bands (ev):

   -25.6200 -23.0471 -17.8800 -11.2929  -9.5396  -2.1681   0.4187   0.9287
     8.0532

          k =-0.2461 0.2368 0.0000 (  2586 PWs)   bands (ev):

   -29.6066 -18.3951 -14.5052 -13.9475  -7.8319  -3.4110  -0.5695   0.1466
     2.7281

          k = 0.2461 0.6157 0.0000 (  2558 PWs)   bands (ev):

   -25.6963 -22.8986 -17.9549 -11.3212  -9.4977  -2.1413   0.2295   1.0513
     8.0216

          k =-0.2461 0.3316 0.0000 (  2572 PWs)   bands (ev):

   -28.5237 -19.7709 -15.7396 -13.5286  -8.1386  -1.9791  -0.9283   0.2568
     4.2016

          k = 0.2461-0.4263 0.0000 (  2546 PWs)   bands (ev):

   -27.1529 -21.2938 -17.2207 -12.4129  -8.7153  -1.6586  -0.4876   0.5835
     5.9943

          k =-0.2461-0.7105 0.0000 (  2546 PWs)   bands (ev):

   -27.1529 -21.2938 -17.2207 -12.4129  -8.7153  -1.6586  -0.4876   0.5835
     5.9943

          k = 0.3282 0.1895 0.0000 (  2582 PWs)   bands (ev):

   -29.0235 -19.9331 -14.0165 -13.4374  -8.1682  -3.9495  -0.2677   0.4144
     3.4437

          k =-0.1641-0.0947 0.0000 (  2618 PWs)   bands (ev):

   -31.2886 -16.1786 -14.3799 -11.8214  -7.8050  -3.3821  -1.8305  -0.5779
     0.4928

          k = 0.3282 0.2842 0.0000 (  2566 PWs)   bands (ev):

   -28.1226 -21.1707 -14.4464 -13.2464  -8.5559  -3.2020  -0.3826   0.4572
     4.6232

          k =-0.1641 0.0000 0.0000 (  2613 PWs)   bands (ev):

   -31.4831 -16.3119 -13.5922 -11.7892  -7.8487  -2.7750  -2.5846  -0.8667
     0.2448

          k = 0.3282 0.3789 0.0000 (  2547 PWs)   bands (ev):

   -26.9192 -22.2507 -16.1910 -12.2867  -9.0309  -1.7311  -0.9482   0.8051
     6.1894

          k =-0.1641 0.0947 0.0000 (  2618 PWs)   bands (ev):

   -31.2938 -16.1711 -14.1487 -12.0665  -7.7885  -3.5597  -1.4771  -0.8348
     0.4912

          k = 0.3282 0.4737 0.0000 (  2558 PWs)   bands (ev):

   -25.5081 -23.2462 -17.7950 -11.2380  -9.6202  -2.1155   0.2633   1.1532
     8.0337

          k =-0.1641 0.1895 0.0000 (  2613 PWs)   bands (ev):

   -30.7250 -16.1280 -15.1061 -13.1106  -7.6933  -3.2376  -1.3906  -0.1291
     1.2372

          k = 0.3282 0.5684 0.0000 (  2550 PWs)   bands (ev):

   -24.3996 -24.0506 -18.5235 -10.3882 -10.2568  -2.4653   0.9577   1.2720
     9.4911

          k =-0.1641 0.2842 0.0000 (  2599 PWs)   bands (ev):

   -29.7904 -17.6499 -14.5826 -14.5818  -7.7406  -2.4028  -1.3071   0.1923
     2.4891

          k = 0.4102 0.2368 0.0000 (  2556 PWs)   bands (ev):

   -27.4516 -22.3730 -13.9115 -12.7883  -9.0575  -3.8347   0.1048   0.1860
     5.4504

          k =-0.0820-0.0474 0.0000 (  2613 PWs)   bands (ev):

   -31.8697 -16.6345 -12.1732 -11.0210  -7.9863  -2.9731  -2.6954  -1.8991
    -0.2547

          k = 0.4102 0.3316 0.0000 (  2543 PWs)   bands (ev):

   -26.5558 -23.2985 -14.7923 -12.1109  -9.4847  -3.0138  -0.5513   0.6562
     6.6442

          k =-0.0820 0.0474 0.0000 (  2613 PWs)   bands (ev):

   -31.8708 -16.6347 -11.9264 -11.2808  -7.9812  -3.1601  -2.2901  -2.1287
    -0.2554

          k = 0.4102 0.4263 0.0000 (  2540 PWs)   bands (ev):

   -25.7409 -23.6559 -16.4257 -11.4966  -9.6988  -1.4490  -1.2813   1.0734
     7.8557

          k =-0.0820 0.1421 0.0000 (  2613 PWs)   bands (ev):

   -31.4866 -16.3101 -13.2606 -12.1456  -7.8366  -3.0844  -2.1099  -1.0756
     0.2434

          k =-0.4922-0.2842 0.0000 (  2544 PWs)   bands (ev):

   -26.3092 -23.8133 -14.0745 -12.0415  -9.7126  -3.7589   0.0710   0.2208
     7.0696

          k =-0.9845-0.5684 0.0000 (  2621 PWs)   bands (ev):

   -32.0643 -16.8062 -11.1667 -10.6751  -8.0669  -3.0768  -3.0258  -2.3986
    -0.5065

     the Fermi energy is    -5.8323 ev

     Writing output data file N_ab.save/

     N_ab.ph.disp.inp                                                           

     bravais-lattice index     =            0
     lattice parameter (alat)  =       4.3309  a.u.
     unit-cell volume          =     580.6922 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      41.0000  Ry
     charge density cut-off    =     410.0000  Ry
     convergence threshold     =      1.0E-14
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    4.33088  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  1.0158  0.0000  0.0000 )  
               a(2) = ( -0.5079  0.8797  0.0000 )  
               a(3) = (  0.0000  0.0000  8.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  0.9845  0.5684  0.0000 )  
               b(2) = (  0.0000  1.1368  0.0000 )  
               b(3) = (  0.0000  0.0000  0.1250 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     N   14.0070   tau(    1) = (    0.50000    0.28868    0.30637  )
        2     N   14.0070   tau(    2) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.4922327  -0.2841907   0.0000000 )
 
      3 Sym.Ops. (with q -> -q+G )


     G cutoff =  194.7940  (  40750 G-vectors)     FFT grid: ( 30, 30,225)
     G cutoff =   77.9176  (  10246 G-vectors)  smooth grid: ( 18, 18,144)

     number of k points=    86  gaussian smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for N  read from file:
     /home/giannozz/espresso/pseudo/N.pbe-n-kjpaw_psl.1.0.0.UPF
     MD5 check sum: 200139db3989ad6e773ddd42f12fc3a8
     Pseudo is Projector augmented-wave + core cor, Zval =  5.0
     Generated using "atomic" code by A. Dal Corso v.6.3
     Shape of augmentation charge: PSQ
     Using radial grid of 1085 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A'  To be done

     Representation     4      1 modes -A'  To be done

     Representation     5      1 modes -A''  To be done

     Representation     6      1 modes -A''  To be done



     Alpha used in Ewald sum =   2.8000

     -------------------------------------------------
     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

        N          2.640         42.670

     negative rho (up, down):  6.878E-05 0.000E+00
     PHONON       :      3h35m CPU      3h44m WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time : 13449.2 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.951E-07

      iter #   2 total cpu time : 13454.2 secs   av.it.:  11.7
      thresh= 8.917E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.452E-07

      iter #   3 total cpu time : 13459.1 secs   av.it.:  11.7
      thresh= 4.952E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.007E-08

      iter #   4 total cpu time : 13463.9 secs   av.it.:  11.2
      thresh= 3.001E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.376E-09

      iter #   5 total cpu time : 13468.9 secs   av.it.:  11.9
      thresh= 3.710E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.651E-10

      iter #   6 total cpu time : 13473.9 secs   av.it.:  11.6
      thresh= 1.628E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.409E-11

      iter #   7 total cpu time : 13478.8 secs   av.it.:  11.3
      thresh= 8.006E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.281E-13

      iter #   8 total cpu time : 13483.9 secs   av.it.:  12.1
      thresh= 4.775E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.355E-14

      iter #   9 total cpu time : 13488.7 secs   av.it.:  11.4
      thresh= 1.164E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.792E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time : 13492.9 secs   av.it.:   6.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.788E-07

      iter #   2 total cpu time : 13497.8 secs   av.it.:  11.7
      thresh= 8.825E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.192E-07

      iter #   3 total cpu time : 13502.8 secs   av.it.:  11.9
      thresh= 4.682E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.011E-07

      iter #   4 total cpu time : 13507.7 secs   av.it.:  11.6
      thresh= 3.180E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.546E-09

      iter #   5 total cpu time : 13512.7 secs   av.it.:  11.9
      thresh= 8.091E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.603E-09

      iter #   6 total cpu time : 13517.6 secs   av.it.:  11.2
      thresh= 6.002E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.282E-11

      iter #   7 total cpu time : 13522.6 secs   av.it.:  11.7
      thresh= 6.544E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.923E-13

      iter #   8 total cpu time : 13527.6 secs   av.it.:  11.9
      thresh= 4.385E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.160E-14

      iter #   9 total cpu time : 13532.5 secs   av.it.:  11.4
      thresh= 1.077E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.886E-16

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time : 13536.8 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.890E-06

      iter #   2 total cpu time : 13541.9 secs   av.it.:  12.3
      thresh= 1.972E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.737E-06

      iter #   3 total cpu time : 13546.8 secs   av.it.:  11.4
      thresh= 2.596E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.911E-07

      iter #   4 total cpu time : 13551.7 secs   av.it.:  11.7
      thresh= 4.372E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.658E-08

      iter #   5 total cpu time : 13556.6 secs   av.it.:  11.5
      thresh= 1.630E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.077E-09

      iter #   6 total cpu time : 13561.6 secs   av.it.:  11.7
      thresh= 4.557E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.604E-12

      iter #   7 total cpu time : 13566.7 secs   av.it.:  12.3
      thresh= 2.367E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.608E-13

      iter #   8 total cpu time : 13571.7 secs   av.it.:  12.0
      thresh= 4.010E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.108E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time : 13576.0 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.889E-06

      iter #   2 total cpu time : 13581.1 secs   av.it.:  12.3
      thresh= 1.972E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.710E-06

      iter #   3 total cpu time : 13586.0 secs   av.it.:  11.4
      thresh= 2.590E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.939E-07

      iter #   4 total cpu time : 13590.9 secs   av.it.:  11.7
      thresh= 4.403E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.748E-08

      iter #   5 total cpu time : 13595.8 secs   av.it.:  11.5
      thresh= 1.658E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.266E-09

      iter #   6 total cpu time : 13600.8 secs   av.it.:  11.7
      thresh= 4.760E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.309E-12

      iter #   7 total cpu time : 13605.9 secs   av.it.:  12.3
      thresh= 2.512E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.440E-13

      iter #   8 total cpu time : 13611.0 secs   av.it.:  12.1
      thresh= 3.795E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.368E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time : 13615.1 secs   av.it.:   6.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.957E-07

      iter #   2 total cpu time : 13619.9 secs   av.it.:  11.3
      thresh= 6.291E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.656E-08

      iter #   3 total cpu time : 13624.5 secs   av.it.:  10.6
      thresh= 1.630E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.504E-09

      iter #   4 total cpu time : 13629.2 secs   av.it.:  10.5
      thresh= 3.878E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.521E-13

      iter #   5 total cpu time : 13633.9 secs   av.it.:  11.0
      thresh= 9.231E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.379E-14

      iter #   6 total cpu time : 13638.6 secs   av.it.:  10.3
      thresh= 2.319E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.068E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time : 13642.8 secs   av.it.:   6.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.832E-07

      iter #   2 total cpu time : 13647.6 secs   av.it.:  11.3
      thresh= 6.190E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.485E-08

      iter #   3 total cpu time : 13652.3 secs   av.it.:  10.6
      thresh= 1.576E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.462E-09

      iter #   4 total cpu time : 13656.9 secs   av.it.:  10.5
      thresh= 3.824E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.010E-13

      iter #   5 total cpu time : 13661.7 secs   av.it.:  10.9
      thresh= 9.492E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.688E-14

      iter #   6 total cpu time : 13666.2 secs   av.it.:  10.3
      thresh= 2.385E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.070E-17

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    1
     List of q in the star:
          1  -0.492232658  -0.284190658   0.000000000

     Diagonalizing the dynamical matrix

     q = (   -0.492232658  -0.284190658   0.000000000 ) 

 **************************************************************************
     freq (    1) =      12.196392 [THz] =     406.827851 [cm-1]
     freq (    2) =      15.936769 [THz] =     531.593406 [cm-1]
     freq (    3) =      19.659467 [THz] =     655.769218 [cm-1]
     freq (    4) =      22.243919 [THz] =     741.977268 [cm-1]
     freq (    5) =      25.650497 [THz] =     855.608472 [cm-1]
     freq (    6) =      30.213391 [THz] =    1007.810233 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        406.8  [cm-1]   --> A'                 
     freq (  2 -  2) =        531.6  [cm-1]   --> A''                
     freq (  3 -  3) =        655.8  [cm-1]   --> A'                 
     freq (  4 -  4) =        742.0  [cm-1]   --> A''                
     freq (  5 -  5) =        855.6  [cm-1]   --> A'                 
     freq (  6 -  6) =       1007.8  [cm-1]   --> A'                 
 
     init_run     :     23.12s CPU     23.28s WALL (      20 calls)
     electrons    :    926.72s CPU    947.69s WALL (      20 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (      20 calls)
     potinit      :      4.82s CPU      4.89s WALL (      20 calls)
     hinit0       :     15.97s CPU     15.99s WALL (      20 calls)

     Called by electrons:
     c_bands      :    926.66s CPU    947.61s WALL (      20 calls)
     v_of_rho     :      3.10s CPU      3.15s WALL (      21 calls)
     newd         :      1.51s CPU      1.56s WALL (      21 calls)
     PAW_pot      :      1.30s CPU      1.31s WALL (      21 calls)

     Called by c_bands:
     init_us_2    :     76.40s CPU     86.61s WALL (  156646 calls)
     cegterg      :    870.06s CPU    885.51s WALL (    9656 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :   7728.89s CPU   7905.63s WALL ( 2089657 calls)
     s_psi        :    606.92s CPU    623.36s WALL ( 4163459 calls)
     g_psi        :     26.43s CPU     26.72s WALL (  127046 calls)
     cdiaghg      :     54.80s CPU     55.52s WALL (  132068 calls)

     Called by h_psi:
     h_psi:pot    :   7682.55s CPU   7857.84s WALL ( 2089657 calls)
     h_psi:calbec :    632.16s CPU    644.22s WALL ( 2089657 calls)
     vloc_psi     :   6586.36s CPU   6742.81s WALL ( 2089657 calls)
     add_vuspsi   :    441.72s CPU    450.68s WALL ( 2089657 calls)

     General routines
     calbec       :   1081.88s CPU   1109.06s WALL ( 4401790 calls)
     fft          :    172.28s CPU    174.66s WALL (   19311 calls)
     ffts         :     14.72s CPU     16.33s WALL (   19773 calls)
     fftw         :   6470.75s CPU   6683.40s WALL (19037452 calls)
     interpolate  :     26.49s CPU     27.06s WALL (    2235 calls)
     davcio       :    135.64s CPU    228.18s WALL (  658617 calls)
 
     Parallel routines
     fft_scatt_xy :   1381.66s CPU   1428.50s WALL (19076536 calls)
     fft_scatt_yz :   1641.56s CPU   1702.63s WALL (19076536 calls)
 
     PHONON       :      3h39m CPU      3h47m WALL

     INITIALIZATION: 
     phq_setup    :      4.49s CPU      4.54s WALL (      21 calls)
     phq_init     :    268.05s CPU    273.25s WALL (      21 calls)
 
     phq_init     :    268.05s CPU    273.25s WALL (      21 calls)
     set_drhoc    :     60.92s CPU     61.04s WALL (      63 calls)
     init_vloc    :      3.98s CPU      3.97s WALL (      21 calls)
     init_us_1    :      2.71s CPU      2.72s WALL (      21 calls)
     newd         :      1.51s CPU      1.56s WALL (      21 calls)
     dvanqq       :     50.36s CPU     50.58s WALL (      21 calls)
     drho         :    129.23s CPU    133.04s WALL (      21 calls)
 
     DYNAMICAL MATRIX:
     dynmat0      :     54.00s CPU     54.46s WALL (      21 calls)
     phqscf       :  11944.54s CPU  12414.64s WALL (      21 calls)
     dynmatrix    :      0.04s CPU      0.06s WALL (      21 calls)
 
     phqscf       :  11944.54s CPU  12414.64s WALL (      21 calls)
     solve_linter :  11914.98s CPU  12380.89s WALL (     126 calls)
     drhodv       :     29.29s CPU     30.95s WALL (     126 calls)
 
     dynmat0      :     54.00s CPU     54.46s WALL (      21 calls)
     dynmat_us    :      8.06s CPU      8.37s WALL (      21 calls)
     d2ionq       :      0.30s CPU      0.31s WALL (      21 calls)
     dynmatcc     :     44.28s CPU     44.41s WALL (      21 calls)
 
     dynmat_us    :      8.06s CPU      8.37s WALL (      21 calls)
     addusdynmat  :      0.00s CPU      0.00s WALL (      21 calls)
 
     phqscf       :  11944.54s CPU  12414.64s WALL (      21 calls)
     solve_linter :  11914.98s CPU  12380.89s WALL (     126 calls)
 
     solve_linter :  11914.98s CPU  12380.89s WALL (     126 calls)
     dvqpsi_us    :    149.03s CPU    157.01s WALL (   15324 calls)
     ortho        :    153.80s CPU    158.18s WALL (  125869 calls)
     cgsolve      :   9118.94s CPU   9335.12s WALL (  125869 calls)
     incdrhoscf   :    788.32s CPU    835.26s WALL (  125869 calls)
     addusddens   :    137.13s CPU    139.85s WALL (    1157 calls)
     vpsifft      :    509.29s CPU    579.20s WALL (  110545 calls)
     dv_of_drho   :    173.10s CPU    174.96s WALL (    1031 calls)
     mix_pot      :     21.84s CPU     41.51s WALL (    1031 calls)
     ef_shift     :      0.88s CPU      0.97s WALL (      53 calls)
     localdos     :      3.38s CPU      3.53s WALL (       6 calls)
     psymdvscf    :     13.38s CPU     13.47s WALL (     290 calls)
     newdq        :    106.00s CPU    106.67s WALL (    1031 calls)
     adddvscf     :     50.95s CPU     52.01s WALL (  110545 calls)
     drhodvus     :      0.98s CPU      2.04s WALL (     126 calls)
 
     dvqpsi_us    :    149.03s CPU    157.01s WALL (   15324 calls)
     dvqpsi_us_on :     21.11s CPU     21.44s WALL (   15324 calls)
 
     cgsolve      :   9118.94s CPU   9335.12s WALL (  125869 calls)
     ch_psi       :   8698.71s CPU   8902.03s WALL ( 1947933 calls)
 
     ch_psi       :   8698.71s CPU   8902.03s WALL ( 1947933 calls)
     h_psi        :   7728.89s CPU   7905.63s WALL ( 2089657 calls)
     last         :   1106.88s CPU   1135.24s WALL ( 1947933 calls)
 
     h_psi        :   7728.89s CPU   7905.63s WALL ( 2089657 calls)
     add_vuspsi   :    441.72s CPU    450.68s WALL ( 2089657 calls)
 
     incdrhoscf   :    788.32s CPU    835.26s WALL (  125869 calls)
     addusdbec    :     86.63s CPU     87.94s WALL (  141193 calls)
 
     drhodvus     :      0.98s CPU      2.04s WALL (     126 calls)
 
      General routines
     calbec       :   1081.88s CPU   1109.06s WALL ( 4401790 calls)
     fft          :    172.28s CPU    174.66s WALL (   19311 calls)
     ffts         :     14.72s CPU     16.33s WALL (   19773 calls)
     fftw         :   6470.75s CPU   6683.40s WALL (19037452 calls)
     davcio       :    135.64s CPU    228.18s WALL (  658617 calls)
     write_rec    :      1.54s CPU     10.05s WALL (    1157 calls)
 
 
     PHONON       :      3h39m CPU      3h47m WALL

 
   This run was terminated on:   2:16:42  15Apr2019            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
