 &control
    calculation = 'scf',
    title = 'graphene',
    prefix='grafene',
    verbosity= 'high',
!    restart_mode = 'from_scratch',
    nstep = 1000,
    iprint = 1,
!    tstress = '.true.',
!    tprnfor = '.true.',
!    disk_io = 'default',
    pseudo_dir = './grafene/',
    outdir='GR1scf'
!    wf_collect = '.true', 
    
 /
 &system    
    ibrav= 12,
    a = 2.4674,
    b = 2.4674,
    c = 20.000,
    cosab = -0.500000, 
!    celldm(1) = 4.64872629, 
    nat=  2, 
    ntyp= 1,
    ecutwfc =40.0,
    ecutrho = 400,
    input_dft = 'PBE',
    nbnd = 16, 
    occupations='smearing',
    degauss=1.0d-03,
    smearing='marzari-vanderbilt',
    
 /
 &electrons
    electron_maxstep = 100,
!    diagonalization = 'david',
    conv_thr = 1d-012,
    mixing_mode = 'plain',
    mixing_beta = 0.3d0,
 /
ATOMIC_SPECIES
  C  12.011 C.pbe-van_ak.UPF
ATOMIC_POSITIONS angstrom
C 0.000000000 0.000000000 5.000000000
C 0.000000000 1.424500000 5.000000000
!K_POINTS crystal_b
!4
!-0.333333333 0.666666667 0.000000000 50 ! K
!0.0000000000 0.000000000 0.000000000 50 ! G
!0.000000000 0.500000000 0.000000000 50 ! M
!-0.333333333 0.666666667 0.000000000 50 ! K
K_POINTS automatic
4 4 4 0 0 0

