&CONTROL calculation = 'bands' pseudo_dir = '../pseudo' prefix = 'sr2cuo3' / &SYSTEM ibrav = 0 nat = 6 ntyp = 3 ecutwfc = 30.000000 ecutrho = 240.000000 nbnd = 35 / &ELECTRONS / CELL_PARAMETERS angstrom -1.749305 1.955690 6.351200 1.749305 -1.955690 6.351200 1.749305 1.955690 -6.351200 ATOMIC_SPECIES Sr 87.620000 Sr_ONCV_PBE-1.0.upf Cu 63.546000 Cu_ONCV_PBE-1.0.upf O 15.999400 O_ONCV_PBE-1.0.upf ATOMIC_POSITIONS crystal Sr 0.851940 0.351940 0.500000 Sr 0.148060 0.648060 0.500000 Cu 0.500000 0.000000 0.500000 O 0.654110 0.154110 0.500000 O 0.345890 0.845890 0.500000 O 0.000000 0.000000 0.000000 K_POINTS crystal 50 0.5000000000 0.5000000000 -0.5000000000 1.0 0.4994075000 0.5005925000 -0.4428337500 1.0 0.4988150000 0.5011850000 -0.3856675000 1.0 0.4982225000 0.5017775000 -0.3285012500 1.0 0.4976300000 0.5023700000 -0.2713350000 1.0 0.4970375000 0.5029625000 -0.2141687500 1.0 0.4964450000 0.5035550000 -0.1570025000 1.0 0.4958525000 0.5041475000 -0.0998362500 1.0 0.4952600000 0.5047400000 -0.0426700000 1.0 0.5337666667 0.4662333333 -0.0811750000 1.0 0.5722733333 0.4277266667 -0.1196800000 1.0 0.6107800000 0.3892200000 -0.1581850000 1.0 0.6492866667 0.3507133333 -0.1966900000 1.0 0.6877933333 0.3122066667 -0.2351950000 1.0 0.7263000000 0.2737000000 -0.2737000000 1.0 0.6810400000 0.3189600000 -0.3189600000 1.0 0.6357800000 0.3642200000 -0.3642200000 1.0 0.5905200000 0.4094800000 -0.4094800000 1.0 0.5452600000 0.4547400000 -0.4547400000 1.0 0.5000000000 0.5000000000 -0.5000000000 1.0 0.3333333333 0.3333333333 -0.3333333333 1.0 0.1666666667 0.1666666667 -0.1666666667 1.0 0.0000000000 0.0000000000 0.0000000000 1.0 0.0000000000 0.0000000000 0.0625000000 1.0 0.0000000000 0.0000000000 0.1250000000 1.0 0.0000000000 0.0000000000 0.1875000000 1.0 0.0000000000 0.0000000000 0.2500000000 1.0 0.0000000000 0.0000000000 0.3125000000 1.0 0.0000000000 0.0000000000 0.3750000000 1.0 0.0000000000 0.0000000000 0.4375000000 1.0 0.0000000000 0.0000000000 0.5000000000 1.0 0.0426700000 -0.0426700000 0.5047400000 1.0 0.0811750000 -0.0811750000 0.4662333333 1.0 0.1196800000 -0.1196800000 0.4277266667 1.0 0.1581850000 -0.1581850000 0.3892200000 1.0 0.1966900000 -0.1966900000 0.3507133333 1.0 0.2351950000 -0.2351950000 0.3122066667 1.0 0.2737000000 -0.2737000000 0.2737000000 1.0 0.2280833333 -0.2280833333 0.2280833333 1.0 0.1824666667 -0.1824666667 0.1824666667 1.0 0.1368500000 -0.1368500000 0.1368500000 1.0 0.0912333333 -0.0912333333 0.0912333333 1.0 0.0456166667 -0.0456166667 0.0456166667 1.0 0.0000000000 0.0000000000 0.0000000000 1.0 0.0833333333 0.0000000000 0.0000000000 1.0 0.1666666667 0.0000000000 0.0000000000 1.0 0.2500000000 0.0000000000 0.0000000000 1.0 0.3333333333 0.0000000000 0.0000000000 1.0 0.4166666667 0.0000000000 0.0000000000 1.0 0.5000000000 0.0000000000 -0.0000000000 1.0