    &control
    prefix='tbbigraphene',
    calculation='scf',
    restart_mode='from_scratch',
    pseudo_dir = '/espresso-4.2/pseudo/',
    outdir='/tmp/results_MOUJAES/'
 /
  &system    
    ibrav=  4, celldm(1) =4.608737, celldm(3)=5.330410, nat=4, ntyp= 1,       ecutwfc=60.D0,occupations='smearing',nosym=.true.,smearing='methfessel-paxton', degauss=0.01
/
 &electrons
    conv_thr=1.D-8,     
    mixing_mode='local-TF'
    mixing_beta=0.1D0
    
 /
ATOMIC_SPECIES
 C  12.0107  C.pz-rrkjus.UPF
ATOMIC_POSITIONS crystal
 C 0.000000  0.000000  0.000000  
 C 0.000000  0.000000  0.257692 
 C 0.333333  -0.33333  0.000000  
 C -0.333333  0.33333  0.257692  

K_POINTS automatic
   30 30 1  0 0 0  

