&CONTROL
  calculation = 'scf',
  prefix      = 'crystal_from_cif',
  outdir      = './scratch',
  pseudo_dir  = '/home/rb1820/QE-PP',
  verbosity   = 'low'
/
&SYSTEM
  ibrav = 0,
  tot_charge=-2,
  nat   = 93,
  ntyp  = 4,
  ecutwfc = 30,
  ecutrho = 300,
  input_dft = 'PBE',
  vdw_corr  = 'dft-d3',
  occupations = 'smearing',
  smearing    = 'mv',
  degauss     = 0.02
  nspin = 2
  tot_magnetization = 1.0
/
&ELECTRONS
  conv_thr    = 1.0d-8,
  mixing_beta = 0.3
/
ATOMIC_SPECIES
  H     1.008   H.pbe-rrkjus_psl.1.0.0.UPF
  C    12.011   C.pbe-n-kjpaw_psl.1.0.0.UPF
  Cl   35.450   cl_pbe_v1.4.uspp.F.UPF
  Sb  121.760   sb_pbe_v1.4.uspp.F.UPF

CELL_PARAMETERS angstrom
   7.1148000000  0.0000000000  0.0000000000
  -0.7111400481  16.1199214388  0.0000000000
  -2.2155454859 -7.9569838163  14.2292794824

ATOMIC_POSITIONS angstrom
 Sb                -1.10777274   -3.97849191    7.11463974
 Sb                 0.00000000    0.00000000    0.00000000
 Sb                -1.46334277    4.08146881    7.11463974
 Cl                 5.60913213   12.85057624    4.86925944
 Cl                 5.14777913    1.80175069    7.51021371
 Cl                 0.38135760    1.44093991    1.86830440
 Cl                 1.37019071   15.05631752    0.37707591
 Cl                -1.16586515   -6.38683648   12.79069933
 Cl                 0.56231715    3.84620069    8.35116413
 Cl                -0.31248536    3.48346970    5.11684890
 Cl                -0.81562632   10.05439758    6.62657545
 Cl                 0.98135007   -3.07553275    7.70515484
 C                 -0.34228761   -1.34728807   14.19086043
 C                  1.53717294    7.08989192    1.27352051
 C                  1.01207486    9.26726242    0.32300464
 C                  1.10345283    8.42906053    1.44142601
 C                  0.54508349   10.60791945    0.47383501
 C                 -0.43709185   -0.49357660   13.09947469
 C                  0.76079161    8.91001122    2.74625094
 C                 -0.87596671    0.85852914   13.27307190
 C                  1.62275511    6.23077533    2.39763359
 C                 -1.74851089    3.49474860   13.58042434
 ****
 ***

K_POINTS automatic
6 4 4  0 0 0

