&control
    calculation = 'scf',
    restart_mode='from_scratch'
     wf_collect=.true.
!    verbosity   ='high',
    prefix      ='M_TYPE',
    outdir = 'hse_NC/'
    pseudo_dir = '/home1/pcrout/PSEUDO/'
    etot_conv_thr = 1.0D-8
    forc_conv_thr = 1.0D-5
    nstep=400
    tprnfor=.true.
    dt=10.D0
    max_seconds =172000
 /
 &system
    ibrav = 8,
    celldm(1) =16.10273309,
    celldm(2) =1.0599563443,
    celldm(3) =1.3319368167,
    nosym=.TRUE.
    ntyp = 8,
    nat  =92,
!    nr1 = 80
!    nr2 = 80
!    nr3 = 160,
!    nr1s = 40
!    nr2s = 40
!    nr3s = 64
    ecutwfc =140
!    ecutrho =560
!    ecutfock=280
    nspin = 2
    nqx1 = 4, nqx2 = 4 , nqx3 = 4
    starting_magnetization(1) =  0.5
    starting_magnetization(2) =  0.5
    starting_magnetization(3) = -0.5
    starting_magnetization(4) = -0.5
    occupations="smearing"
    smearing="fd"
     degauss=0.00184
     input_dft='hse', 
!     input_dft='pbe', 
!    exxdiv_treatment='none'
      x_gamma_extrapolation =.TRUE.
!     lda_plus_u = .true.
!     lda_plus_u_kind=0
!     Hubbard_U(1)=4.0
!     Hubbard_U(2)=4.0
!     Hubbard_U(3)=3.5
!     Hubbard_U(4)=3.5

 /
 &electrons
    mixing_beta = 0.3D0
    conv_thr = 1.0D-10
    adaptive_thr=.true.
!   startingpot='file'
    diagonalization="david"
 /
&ions
ion_dynamics='bfgs'
/
!&cell
!cell_dynamics='bfgs'
!cell_dofree='z'
/
ATOMIC_POSITIONS (crystal)
K_POINTS (automatic)
  4 4 4 0 0 0
