&CONTROL calculation = 'scf' pseudo_dir = './' prefix = 'srvo3' / &SYSTEM ibrav = 0 nat = 5 ntyp = 3 ecutwfc = 120.000000 ecutrho = 480.000000 occupations = 'tetrahedra_opt' / &ELECTRONS mixing_beta = 0.3 / CELL_PARAMETERS angstrom 3.842500 0.000000 0.000000 0.000000 3.842500 0.000000 0.000000 0.000000 3.842500 ATOMIC_SPECIES Sr 87.620000 Sr_ONCV_PBE-1.0.upf V 50.941500 V_ONCV_PBE-1.0.upf O 15.999400 O_ONCV_PBE-1.0.upf ATOMIC_POSITIONS crystal Sr 0.000000 0.000000 0.000000 V 0.500000 0.500000 0.500000 O 0.500000 0.000000 0.500000 O 0.000000 0.500000 0.500000 O 0.500000 0.500000 0.000000 K_POINTS automatic 8 8 8 0 0 0