 &CONTROL
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/mcv/espresso-5.3.0/ZnO/' ,
                      wfcdir = '/home/mcv/espresso-5.3.0/ZnO/' ,
                  pseudo_dir = '/home/mcv/espresso-5.3.0/pseudo/' ,
                      prefix = 'ZnO' ,
                 lkpoint_dir = .true. ,
                     disk_io = 'high' ,
                   verbosity = 'high' ,
 /
 &SYSTEM
                       ibrav = 4,
                   celldm(1) = 6.140853,
                   celldm(3) = 1.601489,
                         nat = 4,
                        ntyp = 2,
                     ecutwfc = 60 ,
                     ecutrho = 240 ,
                        nbnd = 34,
                  tot_charge = 0.000000,
                   input_dft = 'tb09' ,
                 occupations = 'smearing' ,
                     degauss = 0.001 ,
                    smearing = 'gaussian' ,
                  lda_plus_u = .false. ,
 /
 &ELECTRONS
                    conv_thr = 1.D-10 ,
 /
ATOMIC_SPECIES
   Zn   65.38000  Zr.pbesol-n-nc.UPF 
    O   15.99990  O.pbesol-nc.UPF 
ATOMIC_POSITIONS crystal 
   Zn      0.333330000    0.666670000    0.000000000    
   Zn      0.666670000    0.333330000    0.500000000    
    O      0.333330000    0.666670000    0.382100000    
    O      0.666670000    0.333330000    0.882100000    
K_POINTS automatic 
  4 4 2   0 0 0 

