! Pwscf input file created with ciftopw.py 
! Compound: Sn2P2O7
&control
         calculation     = 'bands'
         prefix          = 'Sn2P2O7'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.5506411502386008
         celldm(2)       =            0.5703210801731379
         celldm(3)       =            0.8239573724206520
         celldm(4)       =            0.4331433035316660
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       22
         ntyp            =        3
         ecutwfc         =       48.00000000
         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 
Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
210
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      0.00000000       0.00000000       0.02173913 1.0 
      0.00000000       0.00000000       0.04347826 1.0 
      0.00000000       0.00000000       0.06521739 1.0 
      0.00000000       0.00000000       0.08695652 1.0 
      0.00000000       0.00000000       0.10869565 1.0 
      0.00000000       0.00000000       0.13043478 1.0 
      0.00000000       0.00000000       0.15217391 1.0 
      0.00000000       0.00000000       0.17391304 1.0 
      0.00000000       0.00000000       0.19565217 1.0 
      0.00000000       0.00000000       0.21739130 1.0 
      0.00000000       0.00000000       0.23913043 1.0 
      0.00000000       0.00000000       0.26086957 1.0 
      0.00000000       0.00000000       0.28260870 1.0 
      0.00000000       0.00000000       0.30434783 1.0 
      0.00000000       0.00000000       0.32608696 1.0 
      0.00000000       0.00000000       0.34782609 1.0 
      0.00000000       0.00000000       0.36956522 1.0 
      0.00000000       0.00000000       0.39130435 1.0 
      0.00000000       0.00000000       0.41304348 1.0 
      0.00000000       0.00000000       0.43478261 1.0 
      0.00000000       0.00000000       0.45652174 1.0 
      0.00000000       0.00000000       0.47826087 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01657485       0.51037210 1.0 
      0.00000000       0.03314970       0.52074419 1.0 
      0.00000000       0.04972455       0.53111629 1.0 
      0.00000000       0.06629940       0.54148838 1.0 
      0.00000000       0.08287425       0.55186048 1.0 
      0.00000000       0.09944910       0.56223257 1.0 
      0.00000000       0.11602394       0.57260467 1.0 
      0.00000000       0.13259879       0.58297676 1.0 
      0.00000000       0.14917364       0.59334886 1.0 
      0.00000000       0.16574849       0.60372096 1.0 
      0.00000000       0.18232334       0.61409305 1.0 
      0.00000000       0.19889819       0.62446515 1.0 
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      0.00000000       0.23204789       0.64520934 1.0 
      0.00000000       0.24862274       0.65558143 1.0 
      0.00000000       0.26519759       0.66595353 1.0 
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      0.00000000       0.31492214       0.69706982 1.0 
      0.00000000       0.33149699       0.70744191 1.0 
      0.00000000       0.34807183       0.71781401 1.0 
      0.00000000       0.36464668       0.72818610 1.0 
      0.00000000       0.38122153       0.73855820 1.0 
      0.00000000       0.39779638       0.74893029 1.0 
      0.00000000       0.41437123       0.75930239 1.0 
      0.00000000       0.43094608       0.76967449 1.0 
      0.00000000       0.43094608       0.76967449 1.0 
      0.00000000       0.43554968       0.75169619 1.0 
      0.00000000       0.44015327       0.73371789 1.0 
      0.00000000       0.44475686       0.71573959 1.0 
      0.00000000       0.44936046       0.69776129 1.0 
      0.00000000       0.45396405       0.67978299 1.0 
      0.00000000       0.45856765       0.66180469 1.0 
      0.00000000       0.46317124       0.64382639 1.0 
      0.00000000       0.46777484       0.62584809 1.0 
      0.00000000       0.47237843       0.60786979 1.0 
      0.00000000       0.47698203       0.58989150 1.0 
      0.00000000       0.48158562       0.57191320 1.0 
      0.00000000       0.48618922       0.55393490 1.0 
      0.00000000       0.49079281       0.53595660 1.0 
      0.00000000       0.49539641       0.51797830 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02941176       0.50000000       0.50000000 1.0 
      0.05882353       0.50000000       0.50000000 1.0 
      0.08823529       0.50000000       0.50000000 1.0 
      0.11764706       0.50000000       0.50000000 1.0 
      0.14705882       0.50000000       0.50000000 1.0 
      0.17647059       0.50000000       0.50000000 1.0 
      0.20588235       0.50000000       0.50000000 1.0 
      0.23529412       0.50000000       0.50000000 1.0 
      0.26470588       0.50000000       0.50000000 1.0 
      0.29411765       0.50000000       0.50000000 1.0 
      0.32352941       0.50000000       0.50000000 1.0 
      0.35294118       0.50000000       0.50000000 1.0 
      0.38235294       0.50000000       0.50000000 1.0 
      0.41176471       0.50000000       0.50000000 1.0 
      0.44117647       0.50000000       0.50000000 1.0 
      0.47058824       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50460359       0.48202170 1.0 
      0.50000000       0.50920719       0.46404340 1.0 
      0.50000000       0.51381078       0.44606510 1.0 
      0.50000000       0.51841438       0.42808680 1.0 
      0.50000000       0.52301797       0.41010850 1.0 
      0.50000000       0.52762157       0.39213021 1.0 
      0.50000000       0.53222516       0.37415191 1.0 
      0.50000000       0.53682876       0.35617361 1.0 
      0.50000000       0.54143235       0.33819531 1.0 
      0.50000000       0.54603595       0.32021701 1.0 
      0.50000000       0.55063954       0.30223871 1.0 
      0.50000000       0.55524314       0.28426041 1.0 
      0.50000000       0.55984673       0.26628211 1.0 
      0.50000000       0.56445032       0.24830381 1.0 
      0.50000000       0.56905392       0.23032551 1.0 
      0.50000000       0.56905392       0.23032551 1.0 
      0.50000000       0.56214853       0.20729296 1.0 
      0.50000000       0.55524314       0.18426041 1.0 
      0.50000000       0.54833774       0.16122786 1.0 
      0.50000000       0.54143235       0.13819531 1.0 
      0.50000000       0.53452696       0.11516276 1.0 
      0.50000000       0.52762157       0.09213021 1.0 
      0.50000000       0.52071618       0.06909765 1.0 
      0.50000000       0.51381078       0.04606510 1.0 
      0.50000000       0.50690539       0.02303255 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47058824       0.50000000      -0.00000000 1.0 
      0.44117647       0.50000000      -0.00000000 1.0 
      0.41176471       0.50000000      -0.00000000 1.0 
      0.38235294       0.50000000      -0.00000000 1.0 
      0.35294118       0.50000000      -0.00000000 1.0 
      0.32352941       0.50000000      -0.00000000 1.0 
      0.29411765       0.50000000      -0.00000000 1.0 
      0.26470588       0.50000000      -0.00000000 1.0 
      0.23529412       0.50000000      -0.00000000 1.0 
      0.20588235       0.50000000      -0.00000000 1.0 
      0.17647059       0.50000000      -0.00000000 1.0 
      0.14705882       0.50000000      -0.00000000 1.0 
      0.11764706       0.50000000      -0.00000000 1.0 
      0.08823529       0.50000000      -0.00000000 1.0 
      0.05882353       0.50000000      -0.00000000 1.0 
      0.02941176       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50690539       0.02303255 1.0 
      0.00000000       0.51381078       0.04606510 1.0 
      0.00000000       0.52071618       0.06909765 1.0 
      0.00000000       0.52762157       0.09213021 1.0 
      0.00000000       0.53452696       0.11516276 1.0 
      0.00000000       0.54143235       0.13819531 1.0 
      0.00000000       0.54833774       0.16122786 1.0 
      0.00000000       0.55524314       0.18426041 1.0 
      0.00000000       0.56214853       0.20729296 1.0 
      0.00000000       0.56905392       0.23032551 1.0 
      0.50000000       0.43094608       0.76967449 1.0 
      0.50000000       0.41437123       0.75930239 1.0 
      0.50000000       0.39779638       0.74893029 1.0 
      0.50000000       0.38122153       0.73855820 1.0 
      0.50000000       0.36464668       0.72818610 1.0 
      0.50000000       0.34807183       0.71781401 1.0 
      0.50000000       0.33149699       0.70744191 1.0 
      0.50000000       0.31492214       0.69706982 1.0 
      0.50000000       0.29834729       0.68669772 1.0 
      0.50000000       0.28177244       0.67632563 1.0 
      0.50000000       0.26519759       0.66595353 1.0 
      0.50000000       0.24862274       0.65558143 1.0 
      0.50000000       0.23204789       0.64520934 1.0 
      0.50000000       0.21547304       0.63483724 1.0 
      0.50000000       0.19889819       0.62446515 1.0 
      0.50000000       0.18232334       0.61409305 1.0 
      0.50000000       0.16574849       0.60372096 1.0 
      0.50000000       0.14917364       0.59334886 1.0 
      0.50000000       0.13259879       0.58297676 1.0 
      0.50000000       0.11602394       0.57260467 1.0 
      0.50000000       0.09944910       0.56223257 1.0 
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      0.50000000       0.06629940       0.54148838 1.0 
      0.50000000       0.04972455       0.53111629 1.0 
      0.50000000       0.03314970       0.52074419 1.0 
      0.50000000       0.01657485       0.51037210 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47826087 1.0 
      0.50000000       0.00000000       0.45652174 1.0 
      0.50000000       0.00000000       0.43478261 1.0 
      0.50000000       0.00000000       0.41304348 1.0 
      0.50000000       0.00000000       0.39130435 1.0 
      0.50000000       0.00000000       0.36956522 1.0 
      0.50000000       0.00000000       0.34782609 1.0 
      0.50000000       0.00000000       0.32608696 1.0 
      0.50000000       0.00000000       0.30434783 1.0 
      0.50000000       0.00000000       0.28260870 1.0 
      0.50000000       0.00000000       0.26086957 1.0 
      0.50000000       0.00000000       0.23913043 1.0 
      0.50000000       0.00000000       0.21739130 1.0 
      0.50000000       0.00000000       0.19565217 1.0 
      0.50000000       0.00000000       0.17391304 1.0 
      0.50000000       0.00000000       0.15217391 1.0 
      0.50000000       0.00000000       0.13043478 1.0 
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      0.50000000       0.00000000       0.08695652 1.0 
      0.50000000       0.00000000       0.06521739 1.0 
      0.50000000       0.00000000       0.04347826 1.0 
      0.50000000       0.00000000       0.02173913 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02941176       0.00000000       0.50000000 1.0 
      0.05882353       0.00000000       0.50000000 1.0 
      0.08823529       0.00000000       0.50000000 1.0 
      0.11764706       0.00000000       0.50000000 1.0 
      0.14705882       0.00000000       0.50000000 1.0 
      0.17647059       0.00000000       0.50000000 1.0 
      0.20588235       0.00000000       0.50000000 1.0 
      0.23529412       0.00000000       0.50000000 1.0 
      0.26470588       0.00000000       0.50000000 1.0 
      0.29411765       0.00000000       0.50000000 1.0 
      0.32352941       0.00000000       0.50000000 1.0 
      0.35294118       0.00000000       0.50000000 1.0 
      0.38235294       0.00000000       0.50000000 1.0 
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      0.44117647       0.00000000       0.50000000 1.0 
      0.47058824       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

