&CONTROL calculation = 'bands' outdir = './' pseudo_dir = './' prefix = 'srvo3' / &SYSTEM ibrav = 1 celldm(1) = 7.29738129774137562 ntyp = 3 nat = 5 ecutwfc = 50.0 ecutrho = 400.0 occupations = "tetrahedra_opt" / &ELECTRONS / ATOMIC_SPECIES Sr 87.6200000000 Sr.pbe-spn-kjpaw_psl.0.2.3.upf V 50.9415000000 V.pbe-spn-kjpaw_psl.0.2.3.upf O 15.9994000000 O.pbe-n-kjpaw_psl.0.1.upf ATOMIC_POSITIONS crystal Sr 0.00000000000000 0.00000000000000 0.00000000000000 V 0.50000000000000 0.50000000000000 0.50000000000000 O 0.50000000000000 0.00000000000000 0.50000000000000 O 0.00000000000000 0.50000000000000 0.50000000000000 O 0.50000000000000 0.50000000000000 0.00000000000000 K_POINTS crystal 50 0.0000000000 0.0000000000 0.0000000000 1.0 0.0500000000 0.0000000000 0.0000000000 1.0 0.1000000000 0.0000000000 0.0000000000 1.0 0.1500000000 0.0000000000 0.0000000000 1.0 0.2000000000 0.0000000000 0.0000000000 1.0 0.2500000000 0.0000000000 0.0000000000 1.0 0.3000000000 0.0000000000 0.0000000000 1.0 0.3500000000 0.0000000000 0.0000000000 1.0 0.4000000000 0.0000000000 0.0000000000 1.0 0.4500000000 0.0000000000 0.0000000000 1.0 0.5000000000 0.0000000000 0.0000000000 1.0 0.5000000000 0.0500000000 0.0000000000 1.0 0.5000000000 0.1000000000 0.0000000000 1.0 0.5000000000 0.1500000000 0.0000000000 1.0 0.5000000000 0.2000000000 0.0000000000 1.0 0.5000000000 0.2500000000 0.0000000000 1.0 0.5000000000 0.3000000000 0.0000000000 1.0 0.5000000000 0.3500000000 0.0000000000 1.0 0.5000000000 0.4000000000 0.0000000000 1.0 0.5000000000 0.4500000000 0.0000000000 1.0 0.5000000000 0.5000000000 0.0000000000 1.0 0.4615384615 0.4615384615 0.0000000000 1.0 0.4230769231 0.4230769231 0.0000000000 1.0 0.3846153846 0.3846153846 0.0000000000 1.0 0.3461538462 0.3461538462 0.0000000000 1.0 0.3076923077 0.3076923077 0.0000000000 1.0 0.2692307692 0.2692307692 0.0000000000 1.0 0.2307692308 0.2307692308 0.0000000000 1.0 0.1923076923 0.1923076923 0.0000000000 1.0 0.1538461538 0.1538461538 0.0000000000 1.0 0.1153846154 0.1153846154 0.0000000000 1.0 0.0769230769 0.0769230769 0.0000000000 1.0 0.0384615385 0.0384615385 0.0000000000 1.0 0.0000000000 0.0000000000 0.0000000000 1.0 0.0312500000 0.0312500000 0.0312500000 1.0 0.0625000000 0.0625000000 0.0625000000 1.0 0.0937500000 0.0937500000 0.0937500000 1.0 0.1250000000 0.1250000000 0.1250000000 1.0 0.1562500000 0.1562500000 0.1562500000 1.0 0.1875000000 0.1875000000 0.1875000000 1.0 0.2187500000 0.2187500000 0.2187500000 1.0 0.2500000000 0.2500000000 0.2500000000 1.0 0.2812500000 0.2812500000 0.2812500000 1.0 0.3125000000 0.3125000000 0.3125000000 1.0 0.3437500000 0.3437500000 0.3437500000 1.0 0.3750000000 0.3750000000 0.3750000000 1.0 0.4062500000 0.4062500000 0.4062500000 1.0 0.4375000000 0.4375000000 0.4375000000 1.0 0.4687500000 0.4687500000 0.4687500000 1.0 0.5000000000 0.5000000000 0.5000000000 1.0