&CONTROL calculation='scf', outdir='.', prefix='rocksaltNaCl', pseudo_dir='.', verbosity='low', tstress=.true., / &SYSTEM ibrav=2, celldm(1)=10.6591135892d0, nat=2, ntyp=2, ecutwfc=40, ecutrho=160, input_dft='pbe', occupations='smearing', smearing='mv', degauss=0.005d0, / &ELECTRONS conv_thr=1d-08, mixing_beta=0.7d0, / ATOMIC_SPECIES Cl 35.453000d0 Cl.pbe-n-kjpaw_psl.0.1.UPF Na 22.989800d0 Na.pbe-spn-kjpaw_psl.0.2.UPF ATOMIC_POSITIONS {crystal} Na 0.0000000000d0 0.0000000000d0 0.0000000000d0 Cl 0.5000000000d0 0.5000000000d0 0.5000000000d0 K_POINTS {automatic} 15 15 15 0 0 0