&control
    calculation='scf'
    restart_mode='from_scratch',
    pseudo_dir = './',
    outdir='./',
    prefix='cu',
    tstress = .true.,
    tprnfor = .true.,
    verbosity = 'high',
    iprint = 1
 /
 &system
    ibrav = 0, nat= 15, ntyp= 2,
    ecutwfc = 40.0, ecutrho = 500.0, nspin = 1,
    starting_magnetization(1) = 0.0, starting_magnetization(2) = 0.0,
    occupations='smearing', smearing='gaussian', degauss=0.02
 /
 &electrons
  electron_maxstep=100,
  diago_thr_init=1D-6,
    diagonalization='david'
    conv_thr = 1.0e-8
    mixing_beta = 0.7
 /
CELL_PARAMETERS bohr
0.000000  7.608040  7.608040
7.608040  0.000000  7.608040
7.608040  7.608040  0.000000
ATOMIC_SPECIES
Li  6.941 Li.pz-s-kjpaw_psl.0.2.1.UPF
F  18.998 F.pz-n-kjpaw_psl.0.1.UPF
ATOMIC_POSITIONS crystal
Li  0.000000  0.000000  0.000000
Li  0.000000  0.000000  0.500000
Li  0.000000  0.500000  0.000000
Li  0.000000  0.500000  0.500000
Li  0.500000  0.000000  0.000000
Li  0.500000  0.000000  0.500000
Li  0.500000  0.500000  0.000000
Li  0.500000  0.500000  0.500000
F  0.250000  0.250000  0.25
F  0.250000  0.250000  0.75
F  0.250000  0.750000  0.25
F  0.750000  0.250000  0.25
F  0.750000  0.250000  0.75
F  0.750000  0.750000  0.25
F  0.750000  0.750000  0.75
K_POINTS (automatic)
 3 3 3 0 0 0
