 &CONTROL
                       title = 'PbS' ,
                 calculation = 'nscf' ,
                      outdir = './outdir/' ,
                  pseudo_dir = '/ibrix/home6/hseeley/espresso-5.1.2/pseudo/' ,
                      prefix = 'bulk_111PC' ,
                  wf_collect = .true. ,
                   verbosity = 'high' ,
 /

&SYSTEM
  ibrav=0,
  celldm(1)=8.014979096,
  nat=2,
  ntyp=2,
  ecutwfc=40 ,
  noncolin = .true. ,
  lspinorb = .true. ,
  nbnd = 28 ,
/

&ELECTRONS
/
&IONS
/
&CELL
/
CELL_PARAMETERS {alat}
   1.000000000000d0  0.000000000000d0  0.000000000000d0
  -0.500000000000d0  0.866025403784d0  0.000000000000d0
  -0.500000000000d0  0.288675134595d0  0.816496580928d0

ATOMIC_SPECIES
  Pb 207.200000d0 Pb.rel-pbe-dn-kjpaw_psl.0.2.2.UPF
  S 32.065000d0 S.rel-pbe-n-kjpaw_psl.0.1.UPF
ATOMIC_POSITIONS {alat}
S      0.0000000000d0   0.5773502692d0   0.4082482905d0
Pb    -0.5000000000d0   0.2886751346d0   0.8164965809d0

K_POINTS {automatic}
  1 1 1 0 0 0

