&CONTROL calculation = 'bands' pseudo_dir = './' prefix = 'srvo3' / &SYSTEM ibrav = 0 nat = 5 ntyp = 3 ecutwfc = 120.000000 ecutrho = 480.000000 nbnd = 50 / &ELECTRONS / 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 crystal 50 0.0000000000 0.0000000000 0.0000000000 1.0 0.0714285714 0.0000000000 0.0000000000 1.0 0.1428571429 0.0000000000 0.0000000000 1.0 0.2142857143 0.0000000000 0.0000000000 1.0 0.2857142857 0.0000000000 0.0000000000 1.0 0.3571428571 0.0000000000 0.0000000000 1.0 0.4285714286 0.0000000000 0.0000000000 1.0 0.5000000000 0.0000000000 0.0000000000 1.0 0.5000000000 0.0714285714 0.0000000000 1.0 0.5000000000 0.1428571429 0.0000000000 1.0 0.5000000000 0.2142857143 0.0000000000 1.0 0.5000000000 0.2857142857 0.0000000000 1.0 0.5000000000 0.3571428571 0.0000000000 1.0 0.5000000000 0.4285714286 0.0000000000 1.0 0.5000000000 0.5000000000 0.0000000000 1.0 0.4545454545 0.4545454545 0.0000000000 1.0 0.4090909091 0.4090909091 0.0000000000 1.0 0.3636363636 0.3636363636 0.0000000000 1.0 0.3181818182 0.3181818182 0.0000000000 1.0 0.2727272727 0.2727272727 0.0000000000 1.0 0.2272727273 0.2272727273 0.0000000000 1.0 0.1818181818 0.1818181818 0.0000000000 1.0 0.1363636364 0.1363636364 0.0000000000 1.0 0.0909090909 0.0909090909 0.0000000000 1.0 0.0454545455 0.0454545455 0.0000000000 1.0 0.0000000000 0.0000000000 0.0000000000 1.0 0.0384615385 0.0384615385 0.0384615385 1.0 0.0769230769 0.0769230769 0.0769230769 1.0 0.1153846154 0.1153846154 0.1153846154 1.0 0.1538461538 0.1538461538 0.1538461538 1.0 0.1923076923 0.1923076923 0.1923076923 1.0 0.2307692308 0.2307692308 0.2307692308 1.0 0.2692307692 0.2692307692 0.2692307692 1.0 0.3076923077 0.3076923077 0.3076923077 1.0 0.3461538462 0.3461538462 0.3461538462 1.0 0.3846153846 0.3846153846 0.3846153846 1.0 0.4230769231 0.4230769231 0.4230769231 1.0 0.4615384615 0.4615384615 0.4615384615 1.0 0.5000000000 0.5000000000 0.5000000000 1.0 0.5000000000 0.4545454545 0.4545454545 1.0 0.5000000000 0.4090909091 0.4090909091 1.0 0.5000000000 0.3636363636 0.3636363636 1.0 0.5000000000 0.3181818182 0.3181818182 1.0 0.5000000000 0.2727272727 0.2727272727 1.0 0.5000000000 0.2272727273 0.2272727273 1.0 0.5000000000 0.1818181818 0.1818181818 1.0 0.5000000000 0.1363636364 0.1363636364 1.0 0.5000000000 0.0909090909 0.0909090909 1.0 0.5000000000 0.0454545455 0.0454545455 1.0 0.5000000000 0.0000000000 0.0000000000 1.0