&control calculation='scf' restart_mode='from_scratch', tprnfor = .true. prefix='nickel', pseudo_dir = '../../pseudo/', / &system ibrav=2, celldm(1) =6.65, nat= 1, ntyp= 1, nspin=2, starting_magnetization(1)=0.5, degauss=0.02, smearing='mv', occupations='smearing', ecutwfc =27.0 ecutrho =300.0 / &electrons conv_thr = 1.0d-8 mixing_beta = 0.7 / ATOMIC_SPECIES Ni 58.6934 Ni.pbe-nd-rrkjus.UPF ATOMIC_POSITIONS (alat) Ni 0.00 0.00 0.00 K_POINTS AUTOMATIC 4 4 4 1 1 1