 &control
   calculation='scf'
   restart_mode='from_scratch',
   prefix='bn',
   pseudo_dir = '/home/paulatto/espresso/pseudo/',
   outdir='/home/paulatto/espresso/tempdir/'
   wf_collect = .false.
 /
 &system
    ibrav=  4, celldm(1) =4.7419, celldm(3) =4.3, nat= 2, ntyp= 2,
    ecutwfc =55,
    ecutrho =440,
    occupations='fixed', 
    assume_isolated='2D', 
 /
 &electrons
    conv_thr =  1d-10
    mixing_beta = 0.7
 /
ATOMIC_SPECIES
B 10.81     B.pbe-n-kjpaw_psl.0.1.UPF
N 14.00674  N.pbe-n-kjpaw_psl.0.1.UPF
ATOMIC_POSITIONS (alat)
B        0.000000000   0.288675135   0.000000000
N        0.000000000  -0.288675135   0.000000000 
K_POINTS {automatic}
12 12 1  0 0 0
