! Pwscf input file created with ciftopw.py 
! Compound: Sr2ZrTiO6
&control
         calculation     = 'bands'
         prefix          = 'Sr2ZrTiO6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.7126361970366126
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.5009844269360176
         celldm(5)       =           -0.5009844269360176
         celldm(6)       =            0.0019688538720355
         nat             =       10
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ti  47.8670 Ti.rel-pbe-oncvpsp.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
301
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.01250000 1.0 
     -0.00000000      -0.00000000       0.02500000 1.0 
     -0.00000000      -0.00000000       0.03750000 1.0 
     -0.00000000      -0.00000000       0.05000000 1.0 
     -0.00000000      -0.00000000       0.06250000 1.0 
     -0.00000000      -0.00000000       0.07500000 1.0 
     -0.00000000      -0.00000000       0.08750000 1.0 
     -0.00000000      -0.00000000       0.10000000 1.0 
     -0.00000000      -0.00000000       0.11250000 1.0 
     -0.00000000      -0.00000000       0.12500000 1.0 
     -0.00000000      -0.00000000       0.13750000 1.0 
     -0.00000000      -0.00000000       0.15000000 1.0 
     -0.00000000      -0.00000000       0.16250000 1.0 
     -0.00000000      -0.00000000       0.17500000 1.0 
     -0.00000000      -0.00000000       0.18750000 1.0 
     -0.00000000      -0.00000000       0.20000000 1.0 
     -0.00000000      -0.00000000       0.21250000 1.0 
     -0.00000000      -0.00000000       0.22500000 1.0 
     -0.00000000      -0.00000000       0.23750000 1.0 
     -0.00000000      -0.00000000       0.25000000 1.0 
     -0.00000000      -0.00000000       0.26250000 1.0 
     -0.00000000      -0.00000000       0.27500000 1.0 
     -0.00000000      -0.00000000       0.28750000 1.0 
     -0.00000000      -0.00000000       0.30000000 1.0 
     -0.00000000      -0.00000000       0.31250000 1.0 
     -0.00000000      -0.00000000       0.32500000 1.0 
     -0.00000000      -0.00000000       0.33750000 1.0 
     -0.00000000      -0.00000000       0.35000000 1.0 
     -0.00000000      -0.00000000       0.36250000 1.0 
     -0.00000000      -0.00000000       0.37500000 1.0 
     -0.00000000      -0.00000000       0.38750000 1.0 
     -0.00000000      -0.00000000       0.40000000 1.0 
     -0.00000000      -0.00000000       0.41250000 1.0 
     -0.00000000      -0.00000000       0.42500000 1.0 
     -0.00000000      -0.00000000       0.43750000 1.0 
     -0.00000000      -0.00000000       0.45000000 1.0 
     -0.00000000      -0.00000000       0.46250000 1.0 
     -0.00000000      -0.00000000       0.47500000 1.0 
     -0.00000000      -0.00000000       0.48750000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.01245088       0.01245088       0.50000000 1.0 
     -0.02490175       0.02490175       0.50000000 1.0 
     -0.03735263       0.03735263       0.50000000 1.0 
     -0.04980350       0.04980350       0.50000000 1.0 
     -0.06225438       0.06225438       0.50000000 1.0 
     -0.07470525       0.07470525       0.50000000 1.0 
     -0.08715613       0.08715613       0.50000000 1.0 
     -0.09960700       0.09960700       0.50000000 1.0 
     -0.11205788       0.11205788       0.50000000 1.0 
     -0.12450875       0.12450875       0.50000000 1.0 
     -0.13695963       0.13695963       0.50000000 1.0 
     -0.14941050       0.14941050       0.50000000 1.0 
     -0.16186138       0.16186138       0.50000000 1.0 
     -0.17431226       0.17431226       0.50000000 1.0 
     -0.18676313       0.18676313       0.50000000 1.0 
     -0.19921401       0.19921401       0.50000000 1.0 
     -0.21166488       0.21166488       0.50000000 1.0 
     -0.22411576       0.22411576       0.50000000 1.0 
     -0.23656663       0.23656663       0.50000000 1.0 
     -0.24901751       0.24901751       0.50000000 1.0 
     -0.24901751       0.24901751       0.50000000 1.0 
     -0.25798117       0.25798117       0.49103634 1.0 
     -0.26694483       0.26694483       0.48207268 1.0 
     -0.27590849       0.27590849       0.47310902 1.0 
     -0.28487215       0.28487215       0.46414536 1.0 
     -0.29383581       0.29383581       0.45518170 1.0 
     -0.30279947       0.30279947       0.44621804 1.0 
     -0.31176313       0.31176313       0.43725438 1.0 
     -0.32072679       0.32072679       0.42829072 1.0 
     -0.32969045       0.32969045       0.41932706 1.0 
     -0.33865411       0.33865411       0.41036340 1.0 
     -0.34761777       0.34761777       0.40139974 1.0 
     -0.35658143       0.35658143       0.39243607 1.0 
     -0.36554509       0.36554509       0.38347241 1.0 
     -0.37450875       0.37450875       0.37450875 1.0 
     -0.37450875       0.37450875       0.37450875 1.0 
     -0.36559188       0.36559188       0.36559188 1.0 
     -0.35667500       0.35667500       0.35667500 1.0 
     -0.34775813       0.34775813       0.34775813 1.0 
     -0.33884125       0.33884125       0.33884125 1.0 
     -0.32992438       0.32992438       0.32992438 1.0 
     -0.32100750       0.32100750       0.32100750 1.0 
     -0.31209063       0.31209063       0.31209063 1.0 
     -0.30317375       0.30317375       0.30317375 1.0 
     -0.29425688       0.29425688       0.29425688 1.0 
     -0.28534000       0.28534000       0.28534000 1.0 
     -0.27642313       0.27642313       0.27642313 1.0 
     -0.26750625       0.26750625       0.26750625 1.0 
     -0.25858938       0.25858938       0.25858938 1.0 
     -0.24967250       0.24967250       0.24967250 1.0 
     -0.24075563       0.24075563       0.24075563 1.0 
     -0.23183875       0.23183875       0.23183875 1.0 
     -0.22292188       0.22292188       0.22292188 1.0 
     -0.21400500       0.21400500       0.21400500 1.0 
     -0.20508813       0.20508813       0.20508813 1.0 
     -0.19617125       0.19617125       0.19617125 1.0 
     -0.18725438       0.18725438       0.18725438 1.0 
     -0.17833750       0.17833750       0.17833750 1.0 
     -0.16942063       0.16942063       0.16942063 1.0 
     -0.16050375       0.16050375       0.16050375 1.0 
     -0.15158688       0.15158688       0.15158688 1.0 
     -0.14267000       0.14267000       0.14267000 1.0 
     -0.13375313       0.13375313       0.13375313 1.0 
     -0.12483625       0.12483625       0.12483625 1.0 
     -0.11591938       0.11591938       0.11591938 1.0 
     -0.10700250       0.10700250       0.10700250 1.0 
     -0.09808563       0.09808563       0.09808563 1.0 
     -0.08916875       0.08916875       0.08916875 1.0 
     -0.08025188       0.08025188       0.08025188 1.0 
     -0.07133500       0.07133500       0.07133500 1.0 
     -0.06241813       0.06241813       0.06241813 1.0 
     -0.05350125       0.05350125       0.05350125 1.0 
     -0.04458438       0.04458438       0.04458438 1.0 
     -0.03566750       0.03566750       0.03566750 1.0 
     -0.02675063       0.02675063       0.02675063 1.0 
     -0.01783375       0.01783375       0.01783375 1.0 
     -0.00891688       0.00891688       0.00891688 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000       0.01250000      -0.01250000 1.0 
      0.02500000       0.02500000      -0.02500000 1.0 
      0.03750000       0.03750000      -0.03750000 1.0 
      0.05000000       0.05000000      -0.05000000 1.0 
      0.06250000       0.06250000      -0.06250000 1.0 
      0.07500000       0.07500000      -0.07500000 1.0 
      0.08750000       0.08750000      -0.08750000 1.0 
      0.10000000       0.10000000      -0.10000000 1.0 
      0.11250000       0.11250000      -0.11250000 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.13750000       0.13750000      -0.13750000 1.0 
      0.15000000       0.15000000      -0.15000000 1.0 
      0.16250000       0.16250000      -0.16250000 1.0 
      0.17500000       0.17500000      -0.17500000 1.0 
      0.18750000       0.18750000      -0.18750000 1.0 
      0.20000000       0.20000000      -0.20000000 1.0 
      0.21250000       0.21250000      -0.21250000 1.0 
      0.22500000       0.22500000      -0.22500000 1.0 
      0.23750000       0.23750000      -0.23750000 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.26250000       0.26250000      -0.26250000 1.0 
      0.27500000       0.27500000      -0.27500000 1.0 
      0.28750000       0.28750000      -0.28750000 1.0 
      0.30000000       0.30000000      -0.30000000 1.0 
      0.31250000       0.31250000      -0.31250000 1.0 
      0.32500000       0.32500000      -0.32500000 1.0 
      0.33750000       0.33750000      -0.33750000 1.0 
      0.35000000       0.35000000      -0.35000000 1.0 
      0.36250000       0.36250000      -0.36250000 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.38750000       0.38750000      -0.38750000 1.0 
      0.40000000       0.40000000      -0.40000000 1.0 
      0.41250000       0.41250000      -0.41250000 1.0 
      0.42500000       0.42500000      -0.42500000 1.0 
      0.43750000       0.43750000      -0.43750000 1.0 
      0.45000000       0.45000000      -0.45000000 1.0 
      0.46250000       0.46250000      -0.46250000 1.0 
      0.47500000       0.47500000      -0.47500000 1.0 
      0.48750000       0.48750000      -0.48750000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49103634       0.50896366      -0.49103634 1.0 
      0.48207268       0.51792732      -0.48207268 1.0 
      0.47310902       0.52689098      -0.47310902 1.0 
      0.46414536       0.53585464      -0.46414536 1.0 
      0.45518170       0.54481830      -0.45518170 1.0 
      0.44621804       0.55378196      -0.44621804 1.0 
      0.43725438       0.56274562      -0.43725438 1.0 
      0.42829072       0.57170928      -0.42829072 1.0 
      0.41932706       0.58067294      -0.41932706 1.0 
      0.41036340       0.58963660      -0.41036340 1.0 
      0.40139974       0.59860026      -0.40139974 1.0 
      0.39243607       0.60756393      -0.39243607 1.0 
      0.38347241       0.61652759      -0.38347241 1.0 
      0.37450875       0.62549125      -0.37450875 1.0 
      0.37450875       0.62549125      -0.37450875 1.0 
      0.35890422       0.62026244      -0.35890422 1.0 
      0.34329969       0.61503364      -0.34329969 1.0 
      0.32769516       0.60980484      -0.32769516 1.0 
      0.31209063       0.60457604      -0.31209063 1.0 
      0.29648610       0.59934724      -0.29648610 1.0 
      0.28088157       0.59411843      -0.28088157 1.0 
      0.26527703       0.58888963      -0.26527703 1.0 
      0.24967250       0.58366083      -0.24967250 1.0 
      0.23406797       0.57843203      -0.23406797 1.0 
      0.21846344       0.57320323      -0.21846344 1.0 
      0.20285891       0.56797443      -0.20285891 1.0 
      0.18725438       0.56274562      -0.18725438 1.0 
      0.17164985       0.55751682      -0.17164985 1.0 
      0.15604531       0.55228802      -0.15604531 1.0 
      0.14044078       0.54705922      -0.14044078 1.0 
      0.12483625       0.54183042      -0.12483625 1.0 
      0.10923172       0.53660161      -0.10923172 1.0 
      0.09362719       0.53137281      -0.09362719 1.0 
      0.07802266       0.52614401      -0.07802266 1.0 
      0.06241813       0.52091521      -0.06241813 1.0 
      0.04681359       0.51568641      -0.04681359 1.0 
      0.03120906       0.51045760      -0.03120906 1.0 
      0.01560453       0.50522880      -0.01560453 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00892857       0.49107143       0.00892857 1.0 
      0.01785714       0.48214286       0.01785714 1.0 
      0.02678571       0.47321429       0.02678571 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.04464286       0.45535714       0.04464286 1.0 
      0.05357143       0.44642857       0.05357143 1.0 
      0.06250000       0.43750000       0.06250000 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.08035714       0.41964286       0.08035714 1.0 
      0.08928571       0.41071429       0.08928571 1.0 
      0.09821429       0.40178571       0.09821429 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.11607143       0.38392857       0.11607143 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13392857       0.36607143       0.13392857 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.15178571       0.34821429       0.15178571 1.0 
      0.16071429       0.33928571       0.16071429 1.0 
      0.16964286       0.33035714       0.16964286 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.18750000       0.31250000       0.18750000 1.0 
      0.19642857       0.30357143       0.19642857 1.0 
      0.20535714       0.29464286       0.20535714 1.0 
      0.21428571       0.28571429       0.21428571 1.0 
      0.22321429       0.27678571       0.22321429 1.0 
      0.23214286       0.26785714       0.23214286 1.0 
      0.24107143       0.25892857       0.24107143 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25892857       0.25892857       0.23217795 1.0 
      0.26785714       0.26785714       0.21435589 1.0 
      0.27678571       0.27678571       0.19653384 1.0 
      0.28571429       0.28571429       0.17871178 1.0 
      0.29464286       0.29464286       0.16088973 1.0 
      0.30357143       0.30357143       0.14306768 1.0 
      0.31250000       0.31250000       0.12524562 1.0 
      0.32142857       0.32142857       0.10742357 1.0 
      0.33035714       0.33035714       0.08960152 1.0 
      0.33928571       0.33928571       0.07177946 1.0 
      0.34821429       0.34821429       0.05395741 1.0 
      0.35714286       0.35714286       0.03613535 1.0 
      0.36607143       0.36607143       0.01831330 1.0 
      0.37500000       0.37500000       0.00049125 1.0 
      0.38392857       0.38392857      -0.01733081 1.0 
      0.39285714       0.39285714      -0.03515286 1.0 
      0.40178571       0.40178571      -0.05297492 1.0 
      0.41071429       0.41071429      -0.07079697 1.0 
      0.41964286       0.41964286      -0.08861902 1.0 
      0.42857143       0.42857143      -0.10644108 1.0 
      0.43750000       0.43750000      -0.12426313 1.0 
      0.44642857       0.44642857      -0.14208518 1.0 
      0.45535714       0.45535714      -0.15990724 1.0 
      0.46428571       0.46428571      -0.17772929 1.0 
      0.47321429       0.47321429      -0.19555135 1.0 
      0.48214286       0.48214286      -0.21337340 1.0 
      0.49107143       0.49107143      -0.23119545 1.0 
      0.50000000       0.50000000      -0.24901751 1.0 
      0.50000000       0.50000000      -0.24901751 1.0 
      0.50000000       0.50000000      -0.26156663 1.0 
      0.50000000       0.50000000      -0.27411576 1.0 
      0.50000000       0.50000000      -0.28666488 1.0 
      0.50000000       0.50000000      -0.29921401 1.0 
      0.50000000       0.50000000      -0.31176313 1.0 
      0.50000000       0.50000000      -0.32431226 1.0 
      0.50000000       0.50000000      -0.33686138 1.0 
      0.50000000       0.50000000      -0.34941050 1.0 
      0.50000000       0.50000000      -0.36195963 1.0 
      0.50000000       0.50000000      -0.37450875 1.0 
      0.50000000       0.50000000      -0.38705788 1.0 
      0.50000000       0.50000000      -0.39960700 1.0 
      0.50000000       0.50000000      -0.41215613 1.0 
      0.50000000       0.50000000      -0.42470525 1.0 
      0.50000000       0.50000000      -0.43725438 1.0 
      0.50000000       0.50000000      -0.44980350 1.0 
      0.50000000       0.50000000      -0.46235263 1.0 
      0.50000000       0.50000000      -0.47490175 1.0 
      0.50000000       0.50000000      -0.48745088 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
      0.01250000       0.01250000       0.48750000 1.0 
      0.02500000       0.02500000       0.47500000 1.0 
      0.03750000       0.03750000       0.46250000 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.07500000       0.07500000       0.42500000 1.0 
      0.08750000       0.08750000       0.41250000 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.11250000       0.11250000       0.38750000 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.13750000       0.13750000       0.36250000 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.16250000       0.16250000       0.33750000 1.0 
      0.17500000       0.17500000       0.32500000 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.21250000       0.21250000       0.28750000 1.0 
      0.22500000       0.22500000       0.27500000 1.0 
      0.23750000       0.23750000       0.26250000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

