! Pwscf input file created with ciftopw.py 
! Compound: Na4B2O5
&control
         calculation     = 'bands'
         prefix          = 'Na4B2O5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5699506405236008
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9451673783460546
         celldm(4)       =            0.2742878616254243
         celldm(5)       =            0.2742878616254243
         celldm(6)       =            0.2740485369515995
         nat             =       22
         ntyp            =        3
         ecutwfc         =       67.00000000
         ecutrho         =      325.00000000
         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 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
235
      0.00000000       0.00000000       0.00000000 1.0 
      0.01562500       0.01562500       0.00000000 1.0 
      0.03125000       0.03125000       0.00000000 1.0 
      0.04687500       0.04687500       0.00000000 1.0 
      0.06250000       0.06250000       0.00000000 1.0 
      0.07812500       0.07812500       0.00000000 1.0 
      0.09375000       0.09375000       0.00000000 1.0 
      0.10937500       0.10937500      -0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.14062500       0.14062500      -0.00000000 1.0 
      0.15625000       0.15625000       0.00000000 1.0 
      0.17187500       0.17187500      -0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.20312500       0.20312500      -0.00000000 1.0 
      0.21875000       0.21875000      -0.00000000 1.0 
      0.23437500       0.23437500      -0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
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      0.28125000       0.28125000      -0.00000000 1.0 
      0.29687500       0.29687500       0.00000000 1.0 
      0.31250000       0.31250000       0.00000000 1.0 
      0.32812500       0.32812500      -0.00000000 1.0 
      0.34375000       0.34375000      -0.00000000 1.0 
      0.35937500       0.35937500      -0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.39062500       0.39062500      -0.00000000 1.0 
      0.40625000       0.40625000      -0.00000000 1.0 
      0.42187500       0.42187500       0.00000000 1.0 
      0.43750000       0.43750000      -0.00000000 1.0 
      0.45312500       0.45312500      -0.00000000 1.0 
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      0.48437500       0.48437500      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.51721871       0.51721871       0.05933388 1.0 
      0.52295828       0.52295828       0.07911184 1.0 
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      0.53443742       0.53443742       0.11866776 1.0 
      0.54017699       0.54017699       0.13844572 1.0 
      0.54591656       0.54591656       0.15822368 1.0 
      0.55165613       0.55165613       0.17800164 1.0 
      0.55739570       0.55739570       0.19777959 1.0 
      0.56313527       0.56313527       0.21755755 1.0 
      0.56887484       0.56887484       0.23733551 1.0 
      0.57461441       0.57461441       0.25711347 1.0 
      0.58035398       0.58035398       0.27689143 1.0 
      0.58609355       0.58609355       0.29666939 1.0 
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      0.59757269       0.59757269       0.33622531 1.0 
      0.59757269       0.59757269       0.33622531 1.0 
      0.59006710       0.59006710       0.34882336 1.0 
      0.58256151       0.58256151       0.36142142 1.0 
      0.57505591       0.57505591       0.37401947 1.0 
      0.56755032       0.56755032       0.38661752 1.0 
      0.56004473       0.56004473       0.39921558 1.0 
      0.55253914       0.55253914       0.41181363 1.0 
      0.54503355       0.54503355       0.42441168 1.0 
      0.53752796       0.53752796       0.43700974 1.0 
      0.53002237       0.53002237       0.44960779 1.0 
      0.52251677       0.52251677       0.46220584 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
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      0.60933420       0.39066580       0.50000000 1.0 
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      0.64577893       0.35422107       0.50000000 1.0 
      0.65792717       0.34207283       0.50000000 1.0 
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      0.25422107      -0.25422107       0.50000000 1.0 
      0.24151002      -0.24151002       0.50000000 1.0 
      0.22879896      -0.22879896       0.50000000 1.0 
      0.21608791      -0.21608791       0.50000000 1.0 
      0.20337686      -0.20337686       0.50000000 1.0 
      0.19066580      -0.19066580       0.50000000 1.0 
      0.17795475      -0.17795475       0.50000000 1.0 
      0.16524370      -0.16524370       0.50000000 1.0 
      0.15253264      -0.15253264       0.50000000 1.0 
      0.13982159      -0.13982159       0.50000000 1.0 
      0.12711054      -0.12711054       0.50000000 1.0 
      0.11439948      -0.11439948       0.50000000 1.0 
      0.10168843      -0.10168843       0.50000000 1.0 
      0.08897737      -0.08897737       0.50000000 1.0 
      0.07626632      -0.07626632       0.50000000 1.0 
      0.06355527      -0.06355527       0.50000000 1.0 
      0.05084421      -0.05084421       0.50000000 1.0 
      0.03813316      -0.03813316       0.50000000 1.0 
      0.02542211      -0.02542211       0.50000000 1.0 
      0.01271105      -0.01271105       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01676780       0.01676780       0.50682395 1.0 
      0.03353561       0.03353561       0.51364789 1.0 
      0.05030341       0.05030341       0.52047184 1.0 
      0.06707122       0.06707122       0.52729578 1.0 
      0.08383902       0.08383902       0.53411973 1.0 
      0.10060683       0.10060683       0.54094367 1.0 
      0.11737463       0.11737463       0.54776762 1.0 
      0.13414244       0.13414244       0.55459156 1.0 
      0.15091024       0.15091024       0.56141551 1.0 
      0.16767805       0.16767805       0.56823945 1.0 
      0.18444585       0.18444585       0.57506340 1.0 
      0.20121366       0.20121366       0.58188734 1.0 
      0.21798146       0.21798146       0.58871129 1.0 
      0.23474927       0.23474927       0.59553524 1.0 
      0.25151707       0.25151707       0.60235918 1.0 
      0.26828487       0.26828487       0.60918313 1.0 
      0.28505268       0.28505268       0.61600707 1.0 
      0.30182048       0.30182048       0.62283102 1.0 
      0.31858829       0.31858829       0.62965496 1.0 
      0.33535609       0.33535609       0.63647891 1.0 
      0.35212390       0.35212390       0.64330285 1.0 
      0.36889170       0.36889170       0.65012680 1.0 
      0.38565951       0.38565951       0.65695074 1.0 
      0.40242731       0.40242731       0.66377469 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51263910       0.48736090       0.00000000 1.0 
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      0.53791730       0.46208270       0.00000000 1.0 
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      0.56319550       0.43680450       0.00000000 1.0 
      0.57583460       0.42416540       0.00000000 1.0 
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      0.37411482      -0.37411482       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

