&CONTROL calculation = 'bands', prefix = 'SrVO3', wf_collect = .true., verbosity = 'high' outdir = './tmp/', pseudo_dir = './pseudo/', / &SYSTEM ibrav = 1 A = 3.8409 nat = 5 ntyp = 3 ecutwfc = 100 occupations = "tetrahedra_opt" / &ELECTRONS conv_thr = 1d-8, / ATOMIC_SPECIES Sr 87.6200 Sr.pbesol-spn-kjpaw_psl.1.0.0.UPF V 50.9415 V.pbesol-spnl-kjpaw_psl.1.0.0.UPF O 15.9994 O.pbesol-n-kjpaw_psl.1.0.0.UPF ATOMIC_POSITIONS alat Sr 0.000000000000000 0.000000000000000 0.000000000000000 V 0.500000000000000 0.500000000000000 0.500000000000000 O 0.000000000000000 0.500000000000000 0.500000000000000 O 0.500000000000000 0.000000000000000 0.500000000000000 O 0.500000000000000 0.500000000000000 0.000000000000000 K_POINTS crystal_b 6 0.5 0.5 0.0 20 0.0 0.0 0.0 20 0.5 0.0 0.0 20 0.5 0.5 0.0 20 0.5 0.5 0.5 20 0.0 0.0 0.0 0