 &control
    calculation='scf',
    prefix='MgB2',
    restart_mode    = 'from_scratch'
    wf_collect      = .true.
    pseudo_dir      = '../../pseudo/',
    outdir          = './',
    verbosity       = 'high'
    tprnfor         = .true.,
    tstress         = .true.,   
 /
 &system    
    ibrav      = 4,
    celldm(1)  = 5.8260252227888,
    celldm(3)  = 1.1420694129095,
    nat        =  3,
    ntyp       = 2,
    ecutwfc    = 40
    smearing   = 'mp'
    occupations = 'smearing'
    degauss    = 0.02
 /
 &electrons
    diagonalization = 'david'
    mixing_mode     = 'plain'
    mixing_beta     = 0.7
    conv_thr        = 1.0d-9
 /
ATOMIC_SPECIES
 Mg  24.305  Mg.pz-n-vbc.UPF
 B   10.811  B.pz-vbc.UPF
ATOMIC_POSITIONS crystal
Mg       0.000000000   0.000000000   0.000000000
B        0.333333333   0.666666667   0.500000000
B        0.666666667   0.333333333   0.500000000
K_POINTS AUTOMATIC
3 3 3 0 0 0
