&control
    calculation='relax'
    pseudo_dir = '/home/ncl/espresso-4.1.2/pseudo/',
    outdir='./tmp/',
    prefix='graphene',
etot_conv_thr=1.0D-5,

 /
 &system
    ibrav=  8, celldm(1) =9.195,celldm(2)=1.7326,celldm(3)=1.66,nat= 24, ntyp= 1,
    ecutwfc =30.0,ecutrho=340.0, occupations='smearing',degauss=.01,smearing='mp',
 /
 &electrons
    diagonalization='cg'
 /
&IONS
ion_dynamics='bfgs',
pot_extrapolation='second_order',
wfc_extrapolation='second_order',
trust_radius_ini=.1D0,
trust_radius_max=.3D0,
bfgs_ndim         = 3,
/
ATOMIC_SPECIES
 C  12.0107  C.pbe-rrkjus.UPF
 
ATOMIC_POSITIONS {angstrom}

C   -2.4335   -2.80455   0.0   
C   -3.65025   -2.10747   0.0   
C   -3.65025   -0.697073   0.0   
C   0.0   -2.80455   0.0   
C   -1.21675   -2.10747   0.0   
C   -1.21675   -0.697073   0.0   
C   -2.4335   0   0.0   
C   -2.4335   1.4104   0.0   
C   -3.65025   2.10747   0.0   
C   -3.65025   3.51787   0.0   
C   2.4335   -2.80455   0.0   
C   1.21675   -2.10747   0.0   
C   1.21675   -0.697073   0.0   
C   0.0   0.0   0.0   
C   0.0   1.4104   0.0   
C   -1.21675   2.10747   0.0  
C   -1.21675   3.51787   0.0  
C   -2.4335   4.21495   0.0   
C   2.4335   0   0.0   
C   2.4335   1.4104   0.0   
C   1.21675   2.10747   0.0   
C   1.21675   3.51787   0.0   
C   0   4.21495   0.0   
C   2.4335   4.21495   0.0  


K_POINTS {automatic}
4 3 3 1 1 1