&control calculation='scf' restart_mode='from_scratch', pseudo_dir = '../../pseudo/', outdir='./' prefix='cu' / &system ibrav = 2, celldm(1) =6.822, nat= 1, ntyp= 1, ecutwfc = 30.0 occupations='smearing', smearing='cold', degauss=0.02 / &electrons diagonalization='cg' conv_thr = 1.0e-9 mixing_beta = 0.7 / ATOMIC_SPECIES Cu 63.546 Cu.pz-n-van_ak.UPF ATOMIC_POSITIONS Cu 0.0 0.0 0.0 K_POINTS (automatic) 16 16 16 0 0 0