&control calculation='scf', / &system ibrav=1, celldm(1)=10.0, nat=1, ntyp=1, nbnd=6, ecutwfc=25.0, ecutrho=200.0, occupations='from_input', / &electrons mixing_beta=0.25, / ATOMIC_SPECIES O 15.99994 O.pz-rrkjus.UPF ATOMIC_POSITIONS O 0.000000000 0.000000000 0.000000000 K_POINTS {gamma} OCCUPATIONS 2.0 1.3333333333 1.3333333333 1.3333333333 0.0 0.0