&CONTROL
   calculation = "relax",
  pseudo_dir  = "/root/Desktop/work/optimizebscf50/ps",
  outdir      = "/root/Desktop/work/optimizebscf50/out",
tprnfor = .TRUE.,
tstress = .TRUE.,

nstep=150
/
&SYSTEM
  ibrav     = 1,
  celldm(1) =  7.22320

  nat       = 5,
  ntyp      = 3,
  ecutwfc   = 45.D0,
  ecutrho   = 360.D0,
 occupations = "smearing",
  smearing    = "marzari-vanderbilt",
  degauss     = 0.01D0,
nspin=2,
                  
                   starting_magnetization(1)= 0.3
/
&ELECTRONS
  conv_thr    = 1.D-8,
  mixing_beta = 0.1D0,
electron_maxstep=500
/
&IONS
ion_dynamics = 'bfgs'
wfc_extrapolation='second_order',
pot_extrapolation='second_order'
 ion_positions = 'from_input'
/
ATOMIC_SPECIES
Co  58.93   Co-pbe.UPF
Sr  87.62   Sr.pbe-nsp-van.UPF
O   16.00   O.pbe-van-bm.UPF
ATOMIC_POSITIONS (alat) 
 O                  0.50000000    0.00000000    0.00000000
 O                  0.00000000    0.50000000    0.00000000
 O                  0.00000000    0.00000000    0.50000000
 Co                 0.00000000    0.00000000    0.00000000
 Sr                 0.50000000    0.50000000    0.50000000
 

 
K_POINTS {automatic}
 8 8 8 0 0 0
