
&CONTROL
    calculation = 'vc-relax',
    restart_mode = 'from_scratch',
    title = 'BN',
    prefix = 'BN',
    outdir = './tmp_2/',
    pseudo_dir = '.',
    forc_conv_thr = 1.0D-3,
    tprnfor = .true.,
    tstress = .true.
    verbosity = 'high'
    wf_collect = .true.
   nstep=200,
/

&SYSTEM
  ibrav=2,
  celldm(1)=6.8313599403d0,
  nat=2,
  ntyp=2,
     ecutwfc = 40,
    ecutrho = 400,
 occupations='smearing',
  smearing='fd'
  degauss=0.005d0,
/

&ELECTRONS
  mixing_mode = 'plain'
    mixing_beta = 0.4,
    conv_thr = 1.0D-9,
   electron_maxstep=1000

/
 &ions
 /
  
 &cell

/

ATOMIC_SPECIES
  B 10.811000d0 B.pw91-n-rrkjus_psl.1.0.0.UPF
  N 14.006700d0 N.pw91-n-rrkjus_psl.1.0.0.UPF

ATOMIC_POSITIONS {crystal}
   B   0.0000000000d0   0.0000000000d0   0.0000000000d0
   N   0.2500000000d0   0.2500000000d0   0.2500000000d0

K_POINTS {automatic}
  9 9 9 0 0 0

