&CONTROL calculation = 'scf' , tprnfor = .true. tstress = .false. / &SYSTEM ibrav = 1, celldm(1) = 12.0, nat = 1, ntyp = 1, ecutwfc = 80, ecutfock=160, input_dft = 'B3LYP' nspin = 2 starting_magnetization(1) = 0.2, nbnd = 4 tot_magnetization = 2.0 exxdiv_treatment = 'gygi-baldereschi' x_gamma_extrapolation = .TRUE. / &ELECTRONS conv_thr = 0.5d-3 / ATOMIC_SPECIES O 16.0 O.blyp-mt.UPF ATOMIC_POSITIONS angstrom O 0.1 0.2 0.3 K_POINTS gamma