&control calculation='scf', prefix='pb', pseudo_dir = '../../pp/', outdir='./', tprnfor = .true., tstress = .true., wf_collect = .true. / &system ibrav = 2, celldm(1) = 9.2225583816, nat= 1 , ntyp = 1 , ecutwfc = 90, occupations = 'smearing', degauss = 0.025 / &electrons mixing_beta = 0.7, conv_thr = 1.0d-12 / ATOMIC_SPECIES Pb 207.2 pb_s.UPF ATOMIC_POSITIONS crystal Pb 0.000000000 0.000000000 0.000000000 K_POINTS AUTOMATIC 14 14 14 1 1 1