&CONTROL calculation='scf', outdir='.', prefix='fccAr', pseudo_dir='.', verbosity='low', tstress=.true., / &SYSTEM ibrav=2, celldm(1)=9.9324005107d0, nat=1, ntyp=1, ecutwfc=30, ecutrho=120, input_dft='pbe', occupations='smearing', smearing='mv', degauss=0.005d0, / &ELECTRONS conv_thr=1d-08, mixing_beta=0.7d0, / ATOMIC_SPECIES Ar 39.948000d0 Ar.pbe-n-kjpaw.psl.0.2.3.UPF ATOMIC_POSITIONS {crystal} Ar 0.0000000000d0 0.0000000000d0 0.0000000000d0 K_POINTS {automatic} 15 15 15 0 0 0