! Pwscf input file created with ciftopw.py 
! Compound: CsTa(PO4)2
&control
         calculation     = 'bands'
         prefix          = 'CsTaxPO4x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.5846902162079992
         celldm(2)       =            1.0010819672877549
         celldm(3)       =            1.7452681388012621
         celldm(4)       =            0.0473779155632183
         celldm(5)       =            0.0483267894527160
         celldm(6)       =            0.4715753491860378
         nat             =       12
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cs 132.9055 Cs.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
252
      0.50000000       0.00000000       0.00000000 1.0 
      0.48611111       0.00000000       0.00000000 1.0 
      0.47222222       0.00000000       0.00000000 1.0 
      0.45833333       0.00000000      -0.00000000 1.0 
      0.44444444       0.00000000      -0.00000000 1.0 
      0.43055556       0.00000000       0.00000000 1.0 
      0.41666667       0.00000000       0.00000000 1.0 
      0.40277778       0.00000000       0.00000000 1.0 
      0.38888889      -0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.36111111       0.00000000       0.00000000 1.0 
      0.34722222       0.00000000      -0.00000000 1.0 
      0.33333333       0.00000000       0.00000000 1.0 
      0.31944444       0.00000000       0.00000000 1.0 
      0.30555556      -0.00000000      -0.00000000 1.0 
      0.29166667       0.00000000       0.00000000 1.0 
      0.27777778       0.00000000       0.00000000 1.0 
      0.26388889       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.23611111       0.00000000       0.00000000 1.0 
      0.22222222       0.00000000       0.00000000 1.0 
      0.20833333       0.00000000       0.00000000 1.0 
      0.19444444       0.00000000       0.00000000 1.0 
      0.18055556       0.00000000       0.00000000 1.0 
      0.16666667       0.00000000       0.00000000 1.0 
      0.15277778       0.00000000       0.00000000 1.0 
      0.13888889       0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.11111111       0.00000000      -0.00000000 1.0 
      0.09722222       0.00000000       0.00000000 1.0 
      0.08333333       0.00000000       0.00000000 1.0 
      0.06944444       0.00000000       0.00000000 1.0 
      0.05555556       0.00000000      -0.00000000 1.0 
      0.04166667       0.00000000       0.00000000 1.0 
      0.02777778       0.00000000       0.00000000 1.0 
      0.01388889       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01388889      -0.00000000 1.0 
      0.00000000       0.02777778      -0.00000000 1.0 
      0.00000000       0.04166667      -0.00000000 1.0 
      0.00000000       0.05555556      -0.00000000 1.0 
      0.00000000       0.06944444      -0.00000000 1.0 
      0.00000000       0.08333333      -0.00000000 1.0 
      0.00000000       0.09722222       0.00000000 1.0 
      0.00000000       0.11111111      -0.00000000 1.0 
      0.00000000       0.12500000      -0.00000000 1.0 
      0.00000000       0.13888889      -0.00000000 1.0 
      0.00000000       0.15277778      -0.00000000 1.0 
      0.00000000       0.16666667      -0.00000000 1.0 
      0.00000000       0.18055556      -0.00000000 1.0 
      0.00000000       0.19444444       0.00000000 1.0 
      0.00000000       0.20833333      -0.00000000 1.0 
      0.00000000       0.22222222      -0.00000000 1.0 
      0.00000000       0.23611111      -0.00000000 1.0 
      0.00000000       0.25000000      -0.00000000 1.0 
      0.00000000       0.26388889      -0.00000000 1.0 
      0.00000000       0.27777778      -0.00000000 1.0 
      0.00000000       0.29166667      -0.00000000 1.0 
      0.00000000       0.30555556      -0.00000000 1.0 
      0.00000000       0.31944444      -0.00000000 1.0 
      0.00000000       0.33333333      -0.00000000 1.0 
      0.00000000       0.34722222      -0.00000000 1.0 
      0.00000000       0.36111111      -0.00000000 1.0 
      0.00000000       0.37500000       0.00000000 1.0 
      0.00000000       0.38888889       0.00000000 1.0 
      0.00000000       0.40277778       0.00000000 1.0 
      0.00000000       0.41666667      -0.00000000 1.0 
      0.00000000       0.43055556      -0.00000000 1.0 
      0.00000000       0.44444444      -0.00000000 1.0 
      0.00000000       0.45833333       0.00000000 1.0 
      0.00000000       0.47222222      -0.00000000 1.0 
      0.00000000       0.48611111      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48648649       0.48648649       0.00000000 1.0 
      0.47297297       0.47297297       0.00000000 1.0 
      0.45945946       0.45945946       0.00000000 1.0 
      0.44594595       0.44594595      -0.00000000 1.0 
      0.43243243       0.43243243       0.00000000 1.0 
      0.41891892       0.41891892       0.00000000 1.0 
      0.40540541       0.40540541       0.00000000 1.0 
      0.39189189       0.39189189       0.00000000 1.0 
      0.37837838       0.37837838       0.00000000 1.0 
      0.36486486       0.36486486       0.00000000 1.0 
      0.35135135       0.35135135       0.00000000 1.0 
      0.33783784       0.33783784       0.00000000 1.0 
      0.32432432       0.32432432       0.00000000 1.0 
      0.31081081       0.31081081       0.00000000 1.0 
      0.29729730       0.29729730       0.00000000 1.0 
      0.28378378       0.28378378       0.00000000 1.0 
      0.27027027       0.27027027       0.00000000 1.0 
      0.25675676       0.25675676       0.00000000 1.0 
      0.24324324       0.24324324       0.00000000 1.0 
      0.22972973       0.22972973      -0.00000000 1.0 
      0.21621622       0.21621622       0.00000000 1.0 
      0.20270270       0.20270270       0.00000000 1.0 
      0.18918919       0.18918919       0.00000000 1.0 
      0.17567568       0.17567568       0.00000000 1.0 
      0.16216216       0.16216216       0.00000000 1.0 
      0.14864865       0.14864865      -0.00000000 1.0 
      0.13513514       0.13513514      -0.00000000 1.0 
      0.12162162       0.12162162       0.00000000 1.0 
      0.10810811       0.10810811       0.00000000 1.0 
      0.09459459       0.09459459       0.00000000 1.0 
      0.08108108       0.08108108      -0.00000000 1.0 
      0.06756757       0.06756757      -0.00000000 1.0 
      0.05405405       0.05405405       0.00000000 1.0 
      0.04054054       0.04054054       0.00000000 1.0 
      0.02702703       0.02702703       0.00000000 1.0 
      0.01351351       0.01351351       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02777778 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19444444 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.36111111 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.47222222 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48717949       0.00000000       0.48717949 1.0 
      0.47435897       0.00000000       0.47435897 1.0 
      0.46153846       0.00000000       0.46153846 1.0 
      0.44871795       0.00000000       0.44871795 1.0 
      0.43589744      -0.00000000       0.43589744 1.0 
      0.42307692      -0.00000000       0.42307692 1.0 
      0.41025641       0.00000000       0.41025641 1.0 
      0.39743590       0.00000000       0.39743590 1.0 
      0.38461538       0.00000000       0.38461538 1.0 
      0.37179487       0.00000000       0.37179487 1.0 
      0.35897436       0.00000000       0.35897436 1.0 
      0.34615385       0.00000000       0.34615385 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.32051282       0.00000000       0.32051282 1.0 
      0.30769231       0.00000000       0.30769231 1.0 
      0.29487179       0.00000000       0.29487179 1.0 
      0.28205128       0.00000000       0.28205128 1.0 
      0.26923077       0.00000000       0.26923077 1.0 
      0.25641026       0.00000000       0.25641026 1.0 
      0.24358974       0.00000000       0.24358974 1.0 
      0.23076923       0.00000000       0.23076923 1.0 
      0.21794872      -0.00000000       0.21794872 1.0 
      0.20512821       0.00000000       0.20512821 1.0 
      0.19230769       0.00000000       0.19230769 1.0 
      0.17948718       0.00000000       0.17948718 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15384615       0.00000000       0.15384615 1.0 
      0.14102564       0.00000000       0.14102564 1.0 
      0.12820513       0.00000000       0.12820513 1.0 
      0.11538462      -0.00000000       0.11538462 1.0 
      0.10256410       0.00000000       0.10256410 1.0 
      0.08974359       0.00000000       0.08974359 1.0 
      0.07692308       0.00000000       0.07692308 1.0 
      0.06410256       0.00000000       0.06410256 1.0 
      0.05128205       0.00000000       0.05128205 1.0 
      0.03846154       0.00000000       0.03846154 1.0 
      0.02564103       0.00000000       0.02564103 1.0 
      0.01282051       0.00000000       0.01282051 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01282051       0.01282051 1.0 
      0.00000000       0.02564103       0.02564103 1.0 
      0.00000000       0.03846154       0.03846154 1.0 
      0.00000000       0.05128205       0.05128205 1.0 
      0.00000000       0.06410256       0.06410256 1.0 
      0.00000000       0.07692308       0.07692308 1.0 
      0.00000000       0.08974359       0.08974359 1.0 
      0.00000000       0.10256410       0.10256410 1.0 
      0.00000000       0.11538462       0.11538462 1.0 
      0.00000000       0.12820513       0.12820513 1.0 
      0.00000000       0.14102564       0.14102564 1.0 
      0.00000000       0.15384615       0.15384615 1.0 
      0.00000000       0.16666667       0.16666667 1.0 
      0.00000000       0.17948718       0.17948718 1.0 
      0.00000000       0.19230769       0.19230769 1.0 
      0.00000000       0.20512821       0.20512821 1.0 
      0.00000000       0.21794872       0.21794872 1.0 
      0.00000000       0.23076923       0.23076923 1.0 
      0.00000000       0.24358974       0.24358974 1.0 
      0.00000000       0.25641026       0.25641026 1.0 
      0.00000000       0.26923077       0.26923077 1.0 
      0.00000000       0.28205128       0.28205128 1.0 
      0.00000000       0.29487179       0.29487179 1.0 
      0.00000000       0.30769231       0.30769231 1.0 
      0.00000000       0.32051282       0.32051282 1.0 
      0.00000000       0.33333333       0.33333333 1.0 
      0.00000000       0.34615385       0.34615385 1.0 
      0.00000000       0.35897436       0.35897436 1.0 
      0.00000000       0.37179487       0.37179487 1.0 
      0.00000000       0.38461538       0.38461538 1.0 
      0.00000000       0.39743590       0.39743590 1.0 
      0.00000000       0.41025641       0.41025641 1.0 
      0.00000000       0.42307692       0.42307692 1.0 
      0.00000000       0.43589744       0.43589744 1.0 
      0.00000000       0.44871795       0.44871795 1.0 
      0.00000000       0.46153846       0.46153846 1.0 
      0.00000000       0.47435897       0.47435897 1.0 
      0.00000000       0.48717949       0.48717949 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48750000       0.48750000       0.48750000 1.0 
      0.47500000       0.47500000       0.47500000 1.0 
      0.46250000       0.46250000       0.46250000 1.0 
      0.45000000       0.45000000       0.45000000 1.0 
      0.43750000       0.43750000       0.43750000 1.0 
      0.42500000       0.42500000       0.42500000 1.0 
      0.41250000       0.41250000       0.41250000 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38750000       0.38750000       0.38750000 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.36250000       0.36250000       0.36250000 1.0 
      0.35000000       0.35000000       0.35000000 1.0 
      0.33750000       0.33750000       0.33750000 1.0 
      0.32500000       0.32500000       0.32500000 1.0 
      0.31250000       0.31250000       0.31250000 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28750000       0.28750000       0.28750000 1.0 
      0.27500000       0.27500000       0.27500000 1.0 
      0.26250000       0.26250000       0.26250000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23750000       0.23750000       0.23750000 1.0 
      0.22500000       0.22500000       0.22500000 1.0 
      0.21250000       0.21250000       0.21250000 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18750000       0.18750000       0.18750000 1.0 
      0.17500000       0.17500000       0.17500000 1.0 
      0.16250000       0.16250000       0.16250000 1.0 
      0.15000000       0.15000000       0.15000000 1.0 
      0.13750000       0.13750000       0.13750000 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.11250000       0.11250000       0.11250000 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08750000       0.08750000       0.08750000 1.0 
      0.07500000       0.07500000       0.07500000 1.0 
      0.06250000       0.06250000       0.06250000 1.0 
      0.05000000       0.05000000       0.05000000 1.0 
      0.03750000       0.03750000       0.03750000 1.0 
      0.02500000       0.02500000       0.02500000 1.0 
      0.01250000       0.01250000       0.01250000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

