&control
   calculation = 'scf',
   restart_mode='from_scratch',
   prefix='SnTe_pbe',
   tprnfor = .true.,
   tstress = .false.,
   verbosity='high',
   disk_io = 'low'
/
&system
   ibrav= 0,
   celldm(1) = 12.21088,
   nat= 54,
   ntyp= 2,
   ecutwfc = 65,
   ecutrho = 650,
   occupations='fixed',
/
&electrons
 !electron_maxstep=1
  mixing_mode = 'TF',
   conv_thr =  1.0d-4,
/
&ions
/
&cell
/
ATOMIC_SPECIES
Te 207.19  Te.pbe-dn-rrkjus_psl.0.2.2.UPF
Sn 127.60  Sn.pbe-dn-rrkjus_psl.0.2.UPF

K_POINTS automatic
 2 2 2 0 0 0



CELL_PARAMETERS alat
-1.5 0.0 1.5
0.0 1.5 1.5
-1.5 1.5 0.0

ATOMIC_POSITIONS alat
 Sn  0   0   0
 Te  0.600000000       0.00000000       0.00000000
 Sn -0.500000000      0.500000000       0.00000000
 Te   0.00000000      0.500000000       0.00000000
 Sn  -1.10000000       1.00000000       0.00000000
 Te -0.500000000       1.30000000       0.00000000
 Sn   0.00000000      0.450000000      0.500000000
 Te  0.500000000      0.500000000      0.500000000
 Sn -0.500000000       1.00000000      0.500000000
 Te   0.00000000       1.00000000      0.500000000
 Sn  -1.00000000       1.50000000      0.500000000
 Te -0.500000000       1.50000000      0.500000000
 Sn   0.00000000       1.00000000       1.00000000
 Te  0.500000000       1.00000000       1.00000000
 Sn -0.500000000       1.50000000       1.00000000
 Te   0.00000000       1.50000000       1.00000000
 Sn  -1.00000000       2.00000000       1.00000000
 Te -0.500000000       2.00000000       1.00000000
 Sn -0.500000000       0.00000000      0.500000000
 Te   0.00000000       0.00000000      0.500000000
 Sn  -1.00000000      0.500000000      0.500000000
 Te -0.500000000      0.500000000      0.500000000
 Sn  -1.50000000       1.00000000      0.500000000
 Te  -1.00000000       1.00000000      0.500000000
 Sn -0.500000000      0.500000000       1.00000000
 Te   0.00000000      0.500000000       1.00000000
 Sn  -1.00000000       1.00000000       1.00000000
 Te -0.500000000       1.00000000       1.00000000
 Sn  -1.50000000       1.50000000       1.00000000
 Te  -1.00000000       1.50000000       1.00000000
 Sn -0.500000000       1.00000000       1.50000000
 Te   0.00000000       1.00000000       1.50000000
 Sn  -1.00000000       1.50000000       1.50000000
 Te -0.500000000       1.50000000       1.50000000
 Sn  -1.50000000       2.00000000       1.50000000
 Te  -1.00000000       2.00000000       1.50000000
 Sn  -1.00000000       0.00000000       1.00000000
 Te -0.500000000       0.00000000       1.00000000
 Sn  -1.50000000      0.500000000       1.00000000
 Te  -1.00000000      0.500000000       1.00000000
 Sn  -2.00000000       1.00000000       1.00000000
 Te  -1.50000000       1.00000000       1.00000000
 Sn  -1.00000000      0.500000000       1.50000000
 Te -0.500000000      0.500000000       1.50000000
 Sn  -1.50000000       1.00000000       1.50000000
 Te  -1.00000000       1.00000000       1.50000000
 Sn  -2.00000000       1.50000000       1.50000000
 Te  -1.50000000       1.50000000       1.50000000
 Sn  -1.00000000       1.00000000       2.00000000
 Te -0.500000000       1.00000000       2.00000000
 Sn  -1.50000000       1.50000000       2.00000000
 Te  -1.00000000       1.50000000       2.00000000
 Sn  -2.00000000       2.00000000       2.00000000
 Te  -1.50000000       2.00000000       2.00000000