&CONTROL title = 'Cobalt-hcp' , calculation = 'relax' , restart_mode = 'from_scratch' , outdir = './temp', pseudo_dir = '/home/name/dft/pseudo' , prefix = 'Cobalt', tstress = .true. , tprnfor = .true. , / &SYSTEM ibrav = 4, celldm(1) = 4.75, celldm(3) = 1.58, nat = 2, ntyp = 1, ecutwfc = 25, ecutrho = 200, occupations='smearing', smearing='fermi-dirac', degauss=0.003, / &ELECTRONS diagonalization='cg' conv_thr = 1.0D-8 mixing_beta = 0.3, / &IONS / ATOMIC_SPECIES Co 58.933 Co.pbe-nd-rrkjus.UPF ATOMIC_POSITIONS (crystal) Co 0.3333333333 0.6666666667 0.25 Co 0.6666666667 0.3333333333 0.75 K_POINTS automatic 6 6 3 0 0 0