&control calculation='scf' tstress=.true. / &system ibrav=2, celldm(1) =6.73, nat=1, ntyp=1, ecutwfc = 25.0, ecutrho=200.0, occupations='smearing', smearing='marzari-vanderbilt', degauss=0.02 / &electrons conv_thr=1.e-9 / ATOMIC_SPECIES Cu 63.55 Cu.pz-d-rrkjus.UPF ATOMIC_POSITIONS Cu 0.0 0.0 0.0 K_POINTS {automatic} 4 4 4 0 0 0