&control
calculation = 'scf'
restart_mode = 'from_scratch'
prefix = 'CaWO4'
tstress = .true.
tprnfor = .true.
pseudo_dir = './'
outdir = './outCaWO4'
wf_collect=.true.
forc_conv_thr = 1d-3
etot_conv_thr = 1D-4
max_seconds = 1800,
/

&system
ibrav = 6
celldm(1) = 20.01774289
celldm(3) = 2.173553
nat = 192
ntyp = 4
ecutwfc = 65.0
ecutrho = 780.0
!occupations= 'smearing'
!smearing= 'gaussian'
!degauss= 0.02
nbnd= 1580
/

&electrons
mixing_beta = 0.2,
conv_thr = 1.0d-6,
electron_maxstep = 20000,
/

&IONS
/

&cell
cell_factor = 3.0d0
cell_dofree = 'ibrav'
!press = 0.0
/

ATOMIC_SPECIES
 Ca 40.08   Ca.upf
 Cu 63.55   Cu.upf
 W  183.84  W.upf
 O  16.00   O.upf

!CELL_PARAMETERS (alat)
!        1.0000000000         0.0000000000         0.0000000000
!        0.0000000000         1.0000000000         0.0000000000
!        0.0000000000         0.0000000000         2.1735530000

ATOMIC_POSITIONS (crystal)
Ca     0.499998391         0.125003159         0.312500387
Ca     0.499998391         0.125003159         0.812500358
Ca     0.499998391         0.625003159         0.312500387
Ca     0.499998391         0.625003159         0.812500358
Ca     0.999998391         0.125003159         0.312500387
Ca     0.999998391         0.125003159         0.812500358
Ca     0.999998391         0.625003159         0.312500387
Ca     0.999998391         0.625003159         0.812500358
Ca     0.000001621         0.374996841         0.187499598
Ca     0.000001621         0.374996841         0.687499583
Ca     0.000001621         0.874996841         0.187499598
Ca     0.000001621         0.874996841         0.687499583
Ca     0.500001609         0.374996841         0.187499598
Ca     0.500001609         0.374996841         0.687499583
Ca     0.500001609         0.874996841         0.187499598
Ca     0.500001609         0.874996841         0.687499583
Ca     0.249999613         0.375004768         0.062499490
Cu     0.249999613         0.375004768         0.562499464
Ca     0.249999613         0.875004768         0.062499490
Ca     0.249999613         0.875004768         0.562499464
Ca     0.749999642         0.375004768         0.062499490
Ca     0.749999642         0.375004768         0.562499464
Ca     0.749999642         0.875004768         0.062499490
Ca     0.749999642         0.875004768         0.562499464
Ca     0.250000387         0.124995217         0.437500507
Ca     0.250000387         0.124995217         0.937500477
Ca     0.250000387         0.624995232         0.437500507
Ca     0.250000387         0.624995232         0.937500477
Ca     0.750000358         0.124995217         0.437500507
Ca     0.750000358         0.124995217         0.937500477
Ca     0.750000358         0.624995232         0.437500507
Ca     0.750000358         0.624995232         0.937500477
 W     0.499997407         0.125031233         0.062514432
 W     0.499997407         0.125031233         0.562514424
 W     0.499997407         0.625031233         0.062514432
 W     0.499997407         0.625031233         0.562514424
 W     0.999997377         0.125031233         0.062514432
 W     0.999997377         0.125031233         0.562514424
 W     0.999997377         0.625031233         0.062514432
 W     0.999997377         0.625031233         0.562514424
 W     0.000002607         0.374968767         0.437485576
 W     0.000002607         0.374968767         0.937485576
 W     0.000002607         0.874968767         0.437485576
 W     0.000002607         0.874968767         0.937485576
 W     0.500002623         0.374968767         0.437485576
 W     0.500002623         0.374968767         0.937485576
 W     0.500002623         0.874968767         0.437485576
 W     0.500002623         0.874968767         0.937485576
 W     0.249993309         0.375004679         0.312487930
 W     0.249993309         0.375004679         0.812487960
 W     0.249993309         0.875004649         0.312487930
 W     0.249993309         0.875004649         0.812487960
 W     0.749993324         0.375004679         0.312487930
 W     0.749993324         0.375004679         0.812487960
 W     0.749993324         0.875004649         0.312487930
 W     0.749993324         0.875004649         0.812487960
 W     0.250006676         0.124995314         0.187512085
 W     0.250006676         0.124995314         0.687512100
 W     0.250006676         0.624995291         0.187512085
 W     0.250006676         0.624995291         0.687512100
 W     0.750006676         0.124995314         0.187512085
 W     0.750006676         0.124995314         0.687512100
 W     0.750006676         0.624995291         0.187512085
 W     0.750006676         0.624995291         0.687512100
 O     0.074768186         0.003533907         0.104961582
 O     0.074768186         0.003533907         0.604961574
 O     0.074768186         0.503533900         0.104961582
 O     0.074768186         0.503533900         0.604961574
 O     0.574768186         0.003533907         0.104961582
 O     0.574768186         0.003533907         0.604961574
 O     0.574768186         0.503533900         0.104961582
 O     0.574768186         0.503533900         0.604961574
 O     0.425231814         0.496466100         0.395038426
 O     0.425231814         0.496466100         0.895038426
 O     0.425231814         0.996466100         0.395038426
 O     0.425231814         0.996466100         0.895038426
 O     0.925231814         0.496466100         0.395038426
 O     0.925231814         0.496466100         0.895038426
 O     0.925231814         0.996466100         0.395038426
 O     0.925231814         0.996466100         0.895038426
 O     0.175235614         0.496462882         0.354950786
 O     0.175235614         0.496462882         0.854950786
 O     0.175235614         0.996462882         0.354950786
 O     0.175235614         0.996462882         0.854950786
 O     0.675235629         0.496462882         0.354950786
 O     0.675235629         0.496462882         0.854950786
 O     0.675235629         0.996462882         0.354950786
 O     0.675235629         0.996462882         0.854950786
 O     0.324764371         0.003537116         0.145049199
 O     0.324764371         0.003537116         0.645049214
 O     0.324764371         0.503537118         0.145049199
 O     0.324764371         0.503537118         0.645049214
 O     0.824764371         0.003537116         0.145049199
 O     0.824764371         0.003537116         0.645049214
 O     0.824764371         0.503537118         0.145049199
 O     0.824764371         0.503537118         0.645049214
 O     0.371484965         0.199772060         0.229964823
 O     0.371484965         0.199772060         0.729964852
 O     0.371484965         0.699772060         0.229964823
 O     0.371484965         0.699772060         0.729964852
 O     0.871484995         0.199772060         0.229964823
 O     0.871484995         0.199772060         0.729964852
 O     0.871484995         0.699772060         0.229964823
 O     0.871484995         0.699772060         0.729964852
 O     0.128515020         0.300227940         0.270035177
 O     0.128515020         0.300227940         0.770035148
 O     0.128515020         0.800227940         0.270035177
 O     0.128515020         0.800227940         0.770035148
 O     0.628515005         0.300227940         0.270035177
 O     0.628515005         0.300227940         0.770035148
 O     0.628515005         0.800227940         0.270035177
 O     0.628515005         0.800227940         0.770035148
 O     0.378538489         0.300231785         0.479957521
 O     0.378538489         0.300231785         0.979957521
 O     0.378538489         0.800231814         0.479957521
 O     0.378538489         0.800231814         0.979957521
 O     0.878538489         0.300231785         0.479957521
 O     0.878538489         0.300231785         0.979957521
 O     0.878538489         0.800231814         0.479957521
 O     0.878538489         0.800231814         0.979957521
 O     0.121461511         0.199768215         0.020042473
 O     0.121461511         0.199768215         0.520042479
 O     0.121461511         0.699768186         0.020042473
 O     0.121461511         0.699768186         0.520042479
 O     0.621461511         0.199768215         0.020042473
 O     0.621461511         0.199768215         0.520042479
 O     0.621461511         0.699768186         0.020042473
 O     0.621461511         0.699768186         0.520042479
 O     0.324768126         0.253544956         0.354957700
 O     0.324768126         0.253544956         0.854957700
 O     0.324768126         0.753544927         0.354957700
 O     0.324768126         0.753544927         0.854957700
 O     0.824768126         0.253544956         0.354957700
 O     0.824768126         0.253544956         0.854957700
 O     0.824768126         0.753544927         0.354957700
 O     0.824768126         0.753544927         0.854957700
 O     0.175231874         0.246455058         0.145042285
 O     0.175231874         0.246455058         0.645042300
 O     0.175231874         0.746455073         0.145042285
 O     0.175231874         0.746455073         0.645042300
 O     0.675231874         0.246455058         0.145042285
 O     0.675231874         0.246455058         0.645042300
 O     0.675231874         0.746455073         0.145042285
 O     0.675231874         0.746455073         0.645042300
 O     0.425223380         0.246494576         0.104968116
 O     0.425223380         0.246494576         0.604968131
 O     0.425223380         0.746494591         0.104968116
 O     0.425223380         0.746494591         0.604968131
 O     0.925223351         0.246494576         0.104968116
 O     0.925223351         0.246494576         0.604968131
 O     0.925223351         0.746494591         0.104968116
 O     0.925223351         0.746494591         0.604968131
 O     0.074776627         0.253505439         0.395031899
 O     0.074776627         0.253505439         0.895031929
 O     0.074776627         0.753505468         0.395031899
 O     0.074776627         0.753505468         0.895031929
 O     0.574776649         0.253505439         0.395031899
 O     0.574776649         0.253505439         0.895031929
 O     0.574776649         0.753505468         0.395031899
 O     0.574776649         0.753505468         0.895031929
 O     0.121469066         0.449746221         0.479943454
 O     0.121469066         0.449746221         0.979943454
 O     0.121469066         0.949746251         0.479943454
 O     0.121469066         0.949746251         0.979943454
 O     0.621469080         0.449746221         0.479943454
 O     0.621469080         0.449746221         0.979943454
 O     0.621469080         0.949746251         0.479943454
 O     0.621469080         0.949746251         0.979943454
 O     0.378530949         0.050253786         0.020056551
 O     0.378530949         0.050253786         0.520056546
 O     0.378530949         0.550253808         0.020056551
 O     0.378530949         0.550253808         0.520056546
 O     0.878530979         0.050253786         0.020056551
 O     0.878530979         0.050253786         0.520056546
 O     0.878530979         0.550253808         0.020056551
 O     0.878530979         0.550253808         0.520056546
 O     0.128535300         0.050224610         0.229964703
 O     0.128535300         0.050224610         0.729964733
 O     0.128535300         0.550224602         0.229964703
 O     0.128535300         0.550224602         0.729964733
 O     0.628535271         0.050224610         0.229964703
 O     0.628535271         0.050224610         0.729964733
 O     0.628535271         0.550224602         0.229964703
 O     0.628535271         0.550224602         0.729964733
 O     0.371464700         0.449775368         0.270035297
 O     0.371464700         0.449775368         0.770035267
 O     0.371464700         0.949775338         0.270035297
 O     0.371464700         0.949775338         0.770035267
 O     0.871464729         0.449775368         0.270035297
 O     0.871464729         0.449775368         0.770035267
 O     0.871464729         0.949775338         0.270035297
 O     0.871464729         0.949775338         0.770035267

K_POINTS gamma




