&CONTROL
                       title = 'zno' ,
                      prefix = 'zno'
                 calculation = 'scf' ,
                restart_mode = 'from_scratch'
                   verbosity = 'high' ,
                      outdir = './out' ,
                  pseudo_dir = '/home/arini/Documents/QE_pseudopotentials' ,
/
&SYSTEM
                       ibrav = 0 ,
                    celldm(1)= 6.17562500 ,
                         nat = 4 ,
                        ntyp = 2 ,
!                        nbnd = 50 ,
                     ecutwfc = 80 ,
                     ecutrho = 320 ,
                 occupations = 'tetrahedra' ,
                         nr1 = 72 ,
                         nr2 = 72 ,
                         nr3 = 120 ,
/
&ELECTRONS
            electron_maxstep = 500 ,
                    conv_thr = 1.0d-9 ,
                 mixing_mode = 'plain' ,
                 mixing_beta = 0.7 ,
             diagonalization = 'david' ,
/
&IONS
/
&CELL
/
CELL_PARAMETERS alat
   1.004191659  -0.000000045   0.000000052
  -0.502095869   0.869655148   0.000000059
   0.000000084   0.000000158   1.614625826
 
ATOMIC_SPECIES
   Zn    65.380   Zn_oncvpsp_fr.upf  
    O    15.999   O_oncvpsp_fr.upf

ATOMIC_POSITIONS angstrom
Zn            1.6408938182        0.9474243647        2.6445319287
Zn            0.0000476474        1.8947736012        0.0062767924
O             1.6408951208        0.9474316679        4.6505287869
O             0.0000470779        1.8947677430        2.0122770639
K_POINTS automatic
12 12 8  0 0 0
