&control
   calculation                   = 'scf'
   restart_mode                  = 'from_scratch',
   max_seconds                   = 164000
   wfcdir                        = './outdir'
   wf_collect                    = .true.
   prefix                        = 'nbp',
   tstress                       = .true.
   tprnfor                       = .true.
   pseudo_dir                    = '/home/x_fabco/QuantumESPRESSO/ppot',
   outdir                        = './outdir'
   verbosity                     = 'high'

!   forc_conv_thr                 = 2.0D-4
!   nstep                         = 25
/

&system
   ibrav                         = 6
!   A                             = 3.3324
   celldm(1)                     = 6.297322884
   celldm(3)                     = 3.4148
    
   nat                           = 8
   ntyp                          = 2
!   noncolin                      = .true.
   nbnd                          = 46
   occupations                   = 'smearing'
   smearing                      = 'methfessel-paxton'
   degauss                       = 0.001
!   assume_isolated               = '2D'
!   la2F                          = .true.,
!   lspinorb                      = .true.
   ecutwfc                       = 60
   ecutrho                       = 240.0
!   vdw_corr                      = dft-d
!   input_dft                     = 'vdW-DF'
/

&electrons
   conv_thr                      = 1.0d-10
   mixing_mode                   = 'local-TF'
   mixing_beta                   = 0.5D0
   mixing_ndim                   = 10
/
&ions
   ion_dynamics                  = 'bfgs'
/
&cell
   press                         = 0.D0
!   press_conv_thr                = 0.5D0
   cell_dynamics                 = 'none'
!   cell_dofree                   = 'z'

ATOMIC_SPECIES
Nb   92.906370   Nb_pbe-spn-kjpaw_psl_100.upf
P    30.973762   P_pbe-nl-kjpaw_psl_100.upf

ATOMIC_POSITIONS (crystal)
Nb       0.000000000   0.000000000  -0.000083412
Nb       0.500000000   0.500000000   0.499916601
Nb       0.000000000   0.500000000   0.249916587
Nb       0.500000000   0.000000000   0.749916596
P        0.000000000   0.000000000   0.417453386
P        0.500000000   0.500000000   0.917453383
P        0.000000000   0.500000000   0.667453376
P        0.500000000   0.000000000   0.167453391

K_POINTS automatic
12 12  4     0 0 0

