 &CONTROL
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/mcv/qe-6.1/ZnO/' ,
                      wfcdir = '/home/mcv/qe-6.1/ZnO/' ,
                  pseudo_dir = '/home/mcv/qe-6.1/pseudo/' ,
                      prefix = 'ZnO' ,
                     disk_io = 'high' ,
                   verbosity = 'high' ,
 /
 &SYSTEM
                       ibrav = 4,
                   celldm(1) = 6.139719,
                   celldm(3) = 1.60265,
                         nat = 4,
                        ntyp = 2,
                     ecutwfc = 40 ,
                     ecutrho = 160 ,
                        nbnd = 26,
                  tot_charge = 0.000000,
                 occupations = 'smearing' ,
                     degauss = 0.01 ,
                    smearing = 'fermi-dirac' ,
 /
 &ELECTRONS
                    conv_thr = 1.D-10 ,
                 mixing_mode = 'plain' ,
                 mixing_beta = 0.01 ,
             diagonalization = 'david' ,
 /
ATOMIC_SPECIES
   Zn   65.38000  Zn.pbesol-nc.UPF 
    O   15.99990  O.pbesol-nc.UPF 
ATOMIC_POSITIONS crystal 
   Zn      0.000000000    0.000000000    0.000000000    
   Zn      0.333340000    0.666670000    0.500000000    
    O      0.000000000    0.000000000    0.345000000    
    O      0.666670000    0.333340000    0.845000000    
K_POINTS automatic 
  6 6 4   0 0 0 

