 &CONTROL
     calculation = 'scf' ,
     restart_mode='from_scratch',
    prefix='graphYne',
     pseudo_dir = './',
    outdir='./tmp',
    etot_conv_thr = 1.0D-12,
    forc_conv_thr = 1.0D-12,
    nstep = 900,
    tstress=.true.,
    tprnfor=.true.,  
     disk_io = 'high' ,
     verbosity = 'high' ,

 /
&system
    ibrav=4,nat=12,ntyp=1, 
    a=6.811700000,
    c=15.159500000,
    ecutwfc =100, ecutrho=400, 
 /
 &electrons
    electron_maxstep = 1200,
    mixing_beta = 0.05D0,
    diagonalization = 'cg',
    diago_cg_maxiter = 500,
    conv_thr =  1.0d-12

 /
&ions
 ion_dynamics="bfgs",
/
 

ATOMIC_SPECIES
    C 12.0107000 C.pz-vbc.UPF
ATOMIC_POSITIONS (crystal)
 C       0.089070442       0.499991524       0.500102246
 .......................................
............................................
  C       0.500021685       0.910918615       0.499891157
K_POINTS {automatic}
12 12 1    0 0 0 
