 &CONTROL
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/marsusi/local/qe-6.0/work/graphene/hybrid/hs' ,
                  pseudo_dir = '/home/marsusi/local/qe-6.0/work/graphene/hybrid' ,
                      prefix = 'graphene' ,
                     tstress = .true. ,
                     tprnfor = .true. ,
 /
 &SYSTEM
                       ibrav = 4,
                   celldm(1) = 13.999489019,
                   celldm(3) = 2.7,
                         nat = 19,
                        ntyp = 2,
                     ecutwfc = 80 ,
                        nbnd = 43,
                   input_dft = 'PBE0' ,
                 occupations = 'smearing' ,
                     degauss = 0.02 ,
                    smearing = 'gaussian' ,
                       nspin = 2 ,
   starting_magnetization(2) = 1.0,
            exxdiv_treatment = 'gygi-baldereschi' ,
       x_gamma_extrapolation = .false. ,
                        nqx1 = 1 ,
                        nqx2 = 1 ,
                        nqx3 = 1 ,
 /
 &ELECTRONS
                    conv_thr = 1.0d-6 ,
                 mixing_mode = 'plain' ,
                 mixing_beta = 0.7 ,
             diagonalization = 'david' ,
 /
ATOMIC_SPECIES
    C   12.01100  C.pbe-hgh.UPF 
    F   18.99000  F.pbe-hgh.UPF 
ATOMIC_POSITIONS crystal 
    C      0.000236305   -0.000236305   -0.005951493    
    C      0.332943305   -0.000218610   -0.005984631    
    C      0.666652401   -0.000116240   -0.003149005    
    C      0.111788179    0.221829132   -0.003887139    
    C      0.443440550    0.221820718   -0.003870010    
    C      0.777796261    0.222203739   -0.003529528    
    C      0.000116240    0.333347592   -0.003149005    
    C      0.331335236    0.329291179   -0.000787590    
    C      0.666645730    0.333354263   -0.003112842    
    C      0.111785897    0.556571134   -0.003938423    
    C      0.444434079    0.555565921    0.015449526    
    C      0.778179282    0.556559450   -0.003870010    
    C      0.000218610    0.667056695   -0.005984631    
    C      0.331323729    0.668676271   -0.000891070    
    C      0.670708821    0.668664764   -0.000787590    
    C      0.111134416    0.888865584   -0.006236209    
    C      0.443428866    0.888214103   -0.003938423    
    C      0.778170868    0.888211821   -0.003887139    
    F      0.444105654    0.555894346    0.092505212    
K_POINTS automatic 
  8 8 1   0 0 0 

