&CONTROL
   verbosity        = 'high'
   tstress          = .true.
   tprnfor          = .true.
   outdir           = '/var/www/html/data/material_modeling/Br2Cr2S2.cif-QuantumEspresso-farhie-20230901-093953/'
   pseudo_dir       = '/usr/share/espresso/pseudo'
/
&SYSTEM
   ecutwfc          = 60.0
   occupations      = 'smearing'
   degauss          = 0.009558823529411765
   smearing         = 'methfessel-paxton'
   ntyp             = 3
   nat              = 6
   ibrav            = 0
/
&ELECTRONS
   conv_thr         = 1e-05
   mixing_beta      = 0.7
   diagonalization  = 'david'
/
&IONS
/
&CELL
/

ATOMIC_SPECIES
Cr 51.9961 cr_pbe_v1.5.uspp.F.UPF
S 32.06 s_pbe_v1.4.uspp.F.UPF
Br 79.904 br_pbe_v1.4.uspp.F.UPF

K_POINTS crystal_b
38
0.00000000000000 0.00000000000000 0.00000000000000 0
0.16666666666667 0.00000000000000 0.00000000000000 0
0.33333333333333 0.00000000000000 0.00000000000000 0
0.50000000000000 0.00000000000000 0.00000000000000 0
0.50000000000000 0.25000000000000 0.00000000000000 0
0.50000000000000 0.50000000000000 0.00000000000000 0
0.37500000000000 0.50000000000000 0.00000000000000 0
0.25000000000000 0.50000000000000 0.00000000000000 0
0.12500000000000 0.50000000000000 0.00000000000000 0
0.00000000000000 0.50000000000000 0.00000000000000 0
0.00000000000000 0.33333333333333 0.00000000000000 0
0.00000000000000 0.16666666666667 0.00000000000000 0
0.00000000000000 0.00000000000000 0.00000000000000 0
0.00000000000000 0.00000000000000 0.50000000000000 0
0.12500000000000 0.00000000000000 0.50000000000000 0
0.25000000000000 0.00000000000000 0.50000000000000 0
0.37500000000000 0.00000000000000 0.50000000000000 0
0.50000000000000 0.00000000000000 0.50000000000000 0
0.50000000000000 0.16666666666667 0.50000000000000 0
0.50000000000000 0.33333333333333 0.50000000000000 0
0.50000000000000 0.50000000000000 0.50000000000000 0
0.40000000000000 0.50000000000000 0.50000000000000 0
0.30000000000000 0.50000000000000 0.50000000000000 0
0.20000000000000 0.50000000000000 0.50000000000000 0
0.10000000000000 0.50000000000000 0.50000000000000 0
0.00000000000000 0.50000000000000 0.50000000000000 0
0.00000000000000 0.37500000000000 0.50000000000000 0
0.00000000000000 0.25000000000000 0.50000000000000 0
0.00000000000000 0.12500000000000 0.50000000000000 0
0.00000000000000 0.00000000000000 0.50000000000000 0
0.00000000000000 0.50000000000000 0.00000000000000 0
0.00000000000000 0.50000000000000 0.25000000000000 0
0.00000000000000 0.50000000000000 0.50000000000000 0
0.50000000000000 0.00000000000000 0.50000000000000 0
0.50000000000000 0.00000000000000 0.00000000000000 0
0.50000000000000 0.50000000000000 0.00000000000000 0
0.50000000000000 0.50000000000000 0.25000000000000 0
0.50000000000000 0.50000000000000 0.50000000000000 0

CELL_PARAMETERS angstrom
3.54046000000000 0.00000000000000 0.00000000000000
0.00000000000000 4.75547000000000 0.00000000000000
0.00000000000000 0.00000000000000 8.39404000000000

ATOMIC_POSITIONS angstrom
Cr 0.0000000000 2.3777350000 1.0178612904 
Cr 1.7702300000 0.0000000000 7.3761787096 
S 0.0000000000 0.0000000000 0.5917798200 
S 1.7702300000 2.3777350000 7.8022601800 
Br 0.0000000000 0.0000000000 5.5900948784 
Br 1.7702300000 2.3777350000 2.8039451216