&CONTROL title = fccAu , calculation = 'scf' , restart_mode = 'from_scratch' , outdir = './work' , pseudo_dir = '../pseudo' , prefix = 'fccAu' , tstress = .true. ! tprnfor = .true. / &SYSTEM ibrav = 2, celldm(1) = 7.71, nat = 1, ntyp = 1, ecutwfc = 25 , ecutrho = 100 , nbnd = 16, occupations = 'tetrahedra' , nspin = 1 , / &ELECTRONS conv_thr = 1d-10 , / ATOMIC_SPECIES Au 196.96655 Au.pbe.fhi.UPF ATOMIC_POSITIONS alat Au 0.000000000 0.000000000 0.000000000 K_POINTS automatic 15 15 15 1 1 1