 &control
    calculation     = 'scf'
    prefix          = 'diam'
    verbosity       = 'low'
    pseudo_dir      = './'
    outdir          = './'
 !   tprnfor         = .true.
 !   tstress         = .true.
 /
 &system
    ibrav           = 0
    celldm(1)       = 6.64245
    nat             = 24
    ntyp            = 1
    ecutwfc         = 50
    occupations     = 'smearing'
    smearing        = 'mp'
    degauss         = 0.01
    nbnd            = 50
    nosym           =.true.
 /
 &electrons
    diagonalization = 'david'
    mixing_beta     = 0.7
    conv_thr        = 1.0d-10
 /
ATOMIC_SPECIES
  C  12.011  C.pbesol-n-kjpaw_psl.0.1.UPF
CELL_PARAMETERS (alat)
   1.00  0.00   0.00
   0.00  1.00   0.00
   0.00  0.00   1.00
ATOMIC_POSITIONS alat
  C   0.00  0.00  0.00 
  C   1.00  1.00  0.00 
  C   0.00  1.00  1.00
  C   1.00  1.00  1.00 
  C   1.00  0.50  0.50 
  C   0.50  1.00  0.50
  C   0.50  0.50  1.00
  C   0.50  0.50  0.00
  C   1.00  0.00  1.00
  C   0.50  0.00  0.50
  C   0.00  0.00  1.00
  C   0.00  0.50  0.50
  C   1.00  0.00  0.00
  C   0.00  1.00  0.00
  C   0.75  0.75  0.25
  C   0.25  0.25  0.25
  C   0.75  0.25  0.75
  C   0.25  0.75  0.75
  C   0.00  0.70  1.15
  C   0.00  1.10  1.15
  C   0.00  1.25  1.50
  C   0.00  1.10  1.85
  C   0.00  0.70  1.85
  C   0.00  0.55  1.50
K_POINTS automatic
10 10 10 0 0 0

