fe co

   &CONTROL
      calculation = 'scf',
      restart_mode='from_scratch',
      prefix='fe-co',
      nstep=50,
      tstress = .FALSE.,
      tprnfor = .TRUE.,
      pseudo_dir = './',
      etot_conv_thr=1.0e-4,
      forc_conv_thr=1.0e-3,
   /
   &SYSTEM
       ibrav = 11,
       celldm(1) = 38.296582832, ! in bohr
       celldm(2) = 1.336471179,
       celldm(3) = 0.756048641,
       nat = 18,
       ntyp = 2,
       ecutwfc = 30 ,
       ecutrho = 240 ,
       occupations='smearing',
       smearing='gaussian',
       degauss=0.01,
   /
   &ELECTRONS
      electron_maxstep = 50,
      mixing_mode = 'plain',
      mixing_beta = 0.3,
      conv_thr =  1.0d-8,
   /
ATOMIC_SPECIES
   Fe   26.00000  Fe.pbe-nd-rrkjus.UPF
   Co   27.00000  Co.pbe-nd-rrkjus.UPF
ATOMIC_POSITIONS crystal
   Fe      0.000000000    0.000000000    0.000000000
   Fe      0.200000000    0.000000000    0.000000000
   Fe      0.000000000    0.200000000    0.000000000
   Fe      0.200000000    0.200000000    0.000000000
   Fe      0.100000000    0.100000000    0.000000000
   Co      0.100000000    0.000000000    0.250000000
   Co      0.000000000    0.100000000    0.250000000
   Co      0.100000000    0.200000000    0.250000000
   Co      0.200000000    0.100000000    0.250000000
   Fe      0.000000000    0.000000000    0.500000000
   Fe      0.200000000    0.000000000    0.500000000
   Fe      0.000000000    0.200000000    0.500000000
   Fe      0.200000000    0.200000000    0.500000000
   Co      0.100000000    0.100000000    0.500000000
   Co      0.100000000    0.000000000    0.750000000
   Co      0.000000000    0.100000000    0.750000000
   Co      0.100000000    0.200000000    0.750000000
   Co      0.200000000    0.100000000    0.750000000
K_POINTS {automatic}
   1 1 4    0  0  1