 &control
    calculation='scf'
    restart_mode='from_scratch',
    pseudo_dir = './',
    outdir='./',
    prefix='cu',
    tstress = .true.,
    tprnfor = .true.,
    verbosity = 'high',
    iprint = 1
 /
 &system
    ibrav = 0, celldm(1) =6.73, nat= 1, ntyp= 1,
    ecutwfc = 25.0, ecutrho = 300.0
    occupations='smearing', smearing='gaussian', degauss=0.02
 /
 &electrons
  electron_maxstep=100,
  diago_thr_init=1D-12,
    diagonalization='david'
    conv_thr = 1.0e-8
    mixing_beta = 0.7
 /
CELL_PARAMETERS alat
 0.0 0.4 0.4
 0.5 0.0 0.5
 0.5 0.5 0.0
ATOMIC_SPECIES
 Cu 63.55 Cu.pz-dn-kjpaw_psl.0.2.UPF
ATOMIC_POSITIONS
 Cu 0.0 0.0 0.0
K_POINTS (automatic)
 4 4 4 0 0 0
