&CONTROL
                        title = 'anatase' ,
                  calculation = 'scf' ,
                 restart_mode = 'from_scratch' ,
                   pseudo_dir = '/home/suresh/GN2/',
                       outdir ='/home/suresh/Desktop/primitivecell/tmp/',
                       prefix = 'anatase' ,
                      tstress = .true. ,
                      tprnfor = .true. ,



  /
&SYSTEM
                        ibrav = 7,
              celldm(1) = 7.1356,
              celldm(3) = 2.51218,
                          nat = 6,
                         ntyp = 2,
                      ecutwfc = 60 ,
             exxdiv_treatment = 'none' ,



  /
&ELECTRONS

/
ATOMIC_SPECIES
    Ti   47.86700  Ti.pz-mt_fhi.UPF
     O   15.99940  O.pz-mt_fhi.UPF
ATOMIC_POSITIONS (crystal)
Ti   0.00000   0.00000  -0.00000
Ti  -0.50000   0.75000   0.25000
O   0.00000  -0.20906  -0.20906
O   0.00000   0.20906   0.20906
O  -0.50000   0.54088   0.04088
O  -0.50000   0.95912   0.45912
K_POINTS automatic
 4 4 2 1 1 1