! Pwscf input file created with ciftopw.py 
! Compound: Na4FeO3
&control
         calculation     = 'bands'
         prefix          = 'Na4FeO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.7310549076356132
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.3247833767635395
         celldm(4)       =            0.3592798957932424
         celldm(5)       =            0.3592798957932424
         celldm(6)       =            0.5605196008090666
         nat             =       16
         ntyp            =        3
         ecutwfc         =       67.00000000
         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 
Fe  55.8450 Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
267
      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 
      0.26562500       0.26562500       0.00000000 1.0 
      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 
      0.46875000       0.46875000       0.00000000 1.0 
      0.48437500       0.48437500       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50704054       0.50704054       0.02596080 1.0 
      0.51408109       0.51408109       0.05192161 1.0 
      0.52112163       0.52112163       0.07788241 1.0 
      0.52816217       0.52816217       0.10384322 1.0 
      0.53520272       0.53520272       0.12980402 1.0 
      0.54224326       0.54224326       0.15576482 1.0 
      0.54928380       0.54928380       0.18172563 1.0 
      0.55632435       0.55632435       0.20768643 1.0 
      0.56336489       0.56336489       0.23364724 1.0 
      0.56336489       0.56336489       0.23364724 1.0 
      0.55883883       0.55883883       0.25267243 1.0 
      0.55431276       0.55431276       0.27169763 1.0 
      0.54978670       0.54978670       0.29072283 1.0 
      0.54526064       0.54526064       0.30974803 1.0 
      0.54073457       0.54073457       0.32877322 1.0 
      0.53620851       0.53620851       0.34779842 1.0 
      0.53168245       0.53168245       0.36682362 1.0 
      0.52715638       0.52715638       0.38584882 1.0 
      0.52263032       0.52263032       0.40487401 1.0 
      0.51810425       0.51810425       0.42389921 1.0 
      0.51357819       0.51357819       0.44292441 1.0 
      0.50905213       0.50905213       0.46194961 1.0 
      0.50452606       0.50452606       0.48097480 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50919111       0.49080889       0.50000000 1.0 
      0.51838222       0.48161778       0.50000000 1.0 
      0.52757333       0.47242667       0.50000000 1.0 
      0.53676443       0.46323557       0.50000000 1.0 
      0.54595554       0.45404446       0.50000000 1.0 
      0.55514665       0.44485335       0.50000000 1.0 
      0.56433776       0.43566224       0.50000000 1.0 
      0.57352887       0.42647113       0.50000000 1.0 
      0.58271998       0.41728002       0.50000000 1.0 
      0.59191109       0.40808891       0.50000000 1.0 
      0.60110220       0.39889780       0.50000000 1.0 
      0.61029330       0.38970670       0.50000000 1.0 
      0.61948441       0.38051559       0.50000000 1.0 
      0.62867552       0.37132448       0.50000000 1.0 
      0.63786663       0.36213337       0.50000000 1.0 
      0.64705774       0.35294226       0.50000000 1.0 
      0.65624885       0.34375115       0.50000000 1.0 
      0.66543996       0.33456004       0.50000000 1.0 
      0.67463107       0.32536893       0.50000000 1.0 
      0.68382217       0.31617783       0.50000000 1.0 
      0.69301328       0.30698672       0.50000000 1.0 
      0.70220439       0.29779561       0.50000000 1.0 
      0.71139550       0.28860450       0.50000000 1.0 
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      0.26154783      -0.26154783       0.50000000 1.0 
      0.25252894      -0.25252894       0.50000000 1.0 
      0.24351005      -0.24351005       0.50000000 1.0 
      0.23449116      -0.23449116       0.50000000 1.0 
      0.22547227      -0.22547227       0.50000000 1.0 
      0.21645337      -0.21645337       0.50000000 1.0 
      0.20743448      -0.20743448       0.50000000 1.0 
      0.19841559      -0.19841559       0.50000000 1.0 
      0.18939670      -0.18939670       0.50000000 1.0 
      0.18037781      -0.18037781       0.50000000 1.0 
      0.17135892      -0.17135892       0.50000000 1.0 
      0.16234003      -0.16234003       0.50000000 1.0 
      0.15332114      -0.15332114       0.50000000 1.0 
      0.14430225      -0.14430225       0.50000000 1.0 
      0.13528336      -0.13528336       0.50000000 1.0 
      0.12626447      -0.12626447       0.50000000 1.0 
      0.11724558      -0.11724558       0.50000000 1.0 
      0.10822669      -0.10822669       0.50000000 1.0 
      0.09920780      -0.09920780       0.50000000 1.0 
      0.09018891      -0.09018891       0.50000000 1.0 
      0.08117002      -0.08117002       0.50000000 1.0 
      0.07215112      -0.07215112       0.50000000 1.0 
      0.06313223      -0.06313223       0.50000000 1.0 
      0.05411334      -0.05411334       0.50000000 1.0 
      0.04509445      -0.04509445       0.50000000 1.0 
      0.03607556      -0.03607556       0.50000000 1.0 
      0.02705667      -0.02705667       0.50000000 1.0 
      0.01803778      -0.01803778       0.50000000 1.0 
      0.00901889      -0.00901889       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01679366       0.01679366       0.51024434 1.0 
      0.03358732       0.03358732       0.52048867 1.0 
      0.05038097       0.05038097       0.53073301 1.0 
      0.06717463       0.06717463       0.54097735 1.0 
      0.08396829       0.08396829       0.55122169 1.0 
      0.10076195       0.10076195       0.56146602 1.0 
      0.11755561       0.11755561       0.57171036 1.0 
      0.13434926       0.13434926       0.58195470 1.0 
      0.15114292       0.15114292       0.59219903 1.0 
      0.16793658       0.16793658       0.60244337 1.0 
      0.18473024       0.18473024       0.61268771 1.0 
      0.20152390       0.20152390       0.62293204 1.0 
      0.21831755       0.21831755       0.63317638 1.0 
      0.23511121       0.23511121       0.64342072 1.0 
      0.25190487       0.25190487       0.65366506 1.0 
      0.26869853       0.26869853       0.66390939 1.0 
      0.28549219       0.28549219       0.67415373 1.0 
      0.30228584       0.30228584       0.68439807 1.0 
      0.31907950       0.31907950       0.69464240 1.0 
      0.33587316       0.33587316       0.70488674 1.0 
      0.35266682       0.35266682       0.71513108 1.0 
      0.36946048       0.36946048       0.72537542 1.0 
      0.38625413       0.38625413       0.73561975 1.0 
      0.40304779       0.40304779       0.74586409 1.0 
      0.41984145       0.41984145       0.75610843 1.0 
      0.43663511       0.43663511       0.76635276 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50920208       0.49079792       0.00000000 1.0 
      0.51840416       0.48159584       0.00000000 1.0 
      0.52760623       0.47239377       0.00000000 1.0 
      0.53680831       0.46319169       0.00000000 1.0 
      0.54601039       0.45398961       0.00000000 1.0 
      0.55521247       0.44478753       0.00000000 1.0 
      0.56441454       0.43558546       0.00000000 1.0 
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      0.58281870       0.41718130       0.00000000 1.0 
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      0.63803117       0.36196883       0.00000000 1.0 
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      0.66563740       0.33436260       0.00000000 1.0 
      0.33436260      -0.33436260       0.00000000 1.0 
      0.32532577      -0.32532577       0.00000000 1.0 
      0.31628895      -0.31628895       0.00000000 1.0 
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      0.28917847      -0.28917847       0.00000000 1.0 
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      0.24399433      -0.24399433       0.00000000 1.0 
      0.23495750      -0.23495750       0.00000000 1.0 
      0.22592068      -0.22592068       0.00000000 1.0 
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      0.17169971      -0.17169971       0.00000000 1.0 
      0.16266289      -0.16266289       0.00000000 1.0 
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      0.01807365      -0.01807365       0.00000000 1.0 
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      0.10937500      -0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
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      0.25000000       0.00000000       0.00000000 1.0 
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      0.34375000       0.00000000       0.00000000 1.0 
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      0.47058824       0.00000000       0.47058824 1.0 
      0.45588235      -0.00000000       0.45588235 1.0 
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      0.41176471       0.00000000       0.41176471 1.0 
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      0.30882353       0.00000000       0.30882353 1.0 
      0.29411765       0.00000000       0.29411765 1.0 
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      0.25000000       0.00000000       0.25000000 1.0 
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      0.02941176      -0.00000000       0.02941176 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

