 &CONTROL
                 calculation = 'relax' ,
                 restart_mode = 'from_scratch' ,
                 outdir='/root/Desktop/out/ceo2',
                 pseudo_dir = '/root/Desktop/ps',
                 tprnfor   = .true.
                 tstress = .true.
/
 &SYSTEM
                       ibrav = 10,
                       celldm(1)=28.34 , 
                       celldm(2)=0.360
                       celldm(3)=0.360    
                       nat = 3,
                       ntyp = 2,
                    ecutwfc =70 ,
                    ecutrho = 700 ,
                occupations = 'fixed',
/
 &ELECTRONS
                  conv_thr = 1.D-6 ,
                  diago_full_acc = .TRUE.,
/
&IONS
                  ion_dynamics= 'bfgs',
                  upscale  = 100.d0,
                  pot_extrapolation = 'second_order',
                  wfc_extrapolation = 'second_order' ,
/
ATOMIC_SPECIES
Ce 140.116 Ce.pw-mt_fhi.UPF
O     15.99        O.pw-mt_fhi.UPF
ATOMIC_POSITIONS (angstrom)
Ce    0       0      0
O     -1.35275  1.35275  1.35275
O     -4.05825  4.05825  4.05825                 
K_POINTS {automatic}
6 6 1   0  0  0
