! Pwscf input file created with pymatgen.py 
! Compound: KClO3
&control
         calculation     = 'bands'
         prefix          = 'KClO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.8969759354320992
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0880250533245034
         celldm(5)       =            0.0880250533245034
         celldm(6)       =            0.0880250533245034
         nat             =        5
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
310
      0.00000000       0.00000000       0.00000000 1.0 
      0.01315789       0.00000000       0.00000000 1.0 
      0.02631579       0.00000000       0.00000000 1.0 
      0.03947368       0.00000000       0.00000000 1.0 
      0.05263158       0.00000000       0.00000000 1.0 
      0.06578947       0.00000000       0.00000000 1.0 
      0.07894737       0.00000000       0.00000000 1.0 
      0.09210526       0.00000000       0.00000000 1.0 
      0.10526316       0.00000000       0.00000000 1.0 
      0.11842105       0.00000000       0.00000000 1.0 
      0.13157895       0.00000000       0.00000000 1.0 
      0.14473684       0.00000000      -0.00000000 1.0 
      0.15789474       0.00000000       0.00000000 1.0 
      0.17105263       0.00000000       0.00000000 1.0 
      0.18421053       0.00000000       0.00000000 1.0 
      0.19736842       0.00000000       0.00000000 1.0 
      0.21052632       0.00000000       0.00000000 1.0 
      0.22368421       0.00000000       0.00000000 1.0 
      0.23684211       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26315789       0.00000000       0.00000000 1.0 
      0.27631579       0.00000000       0.00000000 1.0 
      0.28947368       0.00000000      -0.00000000 1.0 
      0.30263158       0.00000000      -0.00000000 1.0 
      0.31578947       0.00000000       0.00000000 1.0 
      0.32894737       0.00000000       0.00000000 1.0 
      0.34210526       0.00000000       0.00000000 1.0 
      0.35526316       0.00000000       0.00000000 1.0 
      0.36842105       0.00000000       0.00000000 1.0 
      0.38157895       0.00000000       0.00000000 1.0 
      0.39473684       0.00000000       0.00000000 1.0 
      0.40789474      -0.00000000      -0.00000000 1.0 
      0.42105263       0.00000000       0.00000000 1.0 
      0.43421053       0.00000000       0.00000000 1.0 
      0.44736842       0.00000000       0.00000000 1.0 
      0.46052632       0.00000000       0.00000000 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.03542933      -0.03542933 1.0 
      0.50000000       0.04428666      -0.04428666 1.0 
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      0.50000000       0.07085866      -0.07085866 1.0 
      0.50000000       0.07971599      -0.07971599 1.0 
      0.50000000       0.08857332      -0.08857332 1.0 
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      0.50000000       0.15057465      -0.15057465 1.0 
      0.50000000       0.15943198      -0.15943198 1.0 
      0.50000000       0.16828931      -0.16828931 1.0 
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      0.50000000       0.19486131      -0.19486131 1.0 
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      0.56653160       0.50000000       0.43346840 1.0 
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      0.54989870       0.50000000       0.45010130 1.0 
      0.54158225       0.50000000       0.45841775 1.0 
      0.53326580       0.50000000       0.46673420 1.0 
      0.52494935       0.50000000       0.47505065 1.0 
      0.51663290       0.50000000       0.48336710 1.0 
      0.50831645       0.50000000       0.49168355 1.0 
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      0.49180328       0.49180328       0.49180328 1.0 
      0.48360656       0.48360656       0.48360656 1.0 
      0.47540984       0.47540984       0.47540984 1.0 
      0.46721311       0.46721311       0.46721311 1.0 
      0.45901639       0.45901639       0.45901639 1.0 
      0.45081967       0.45081967       0.45081967 1.0 
      0.44262295       0.44262295       0.44262295 1.0 
      0.43442623       0.43442623       0.43442623 1.0 
      0.42622951       0.42622951       0.42622951 1.0 
      0.41803279       0.41803279       0.41803279 1.0 
      0.40983607       0.40983607       0.40983607 1.0 
      0.40163934       0.40163934       0.40163934 1.0 
      0.39344262       0.39344262       0.39344262 1.0 
      0.38524590       0.38524590       0.38524590 1.0 
      0.37704918       0.37704918       0.37704918 1.0 
      0.36885246       0.36885246       0.36885246 1.0 
      0.36065574       0.36065574       0.36065574 1.0 
      0.35245902       0.35245902       0.35245902 1.0 
      0.34426230       0.34426230       0.34426230 1.0 
      0.33606557       0.33606557       0.33606557 1.0 
      0.32786885       0.32786885       0.32786885 1.0 
      0.31967213       0.31967213       0.31967213 1.0 
      0.31147541       0.31147541       0.31147541 1.0 
      0.30327869       0.30327869       0.30327869 1.0 
      0.29508197       0.29508197       0.29508197 1.0 
      0.28688525       0.28688525       0.28688525 1.0 
      0.27868852       0.27868852       0.27868852 1.0 
      0.27049180       0.27049180       0.27049180 1.0 
      0.26229508       0.26229508       0.26229508 1.0 
      0.25409836       0.25409836       0.25409836 1.0 
      0.24590164       0.24590164       0.24590164 1.0 
      0.23770492       0.23770492       0.23770492 1.0 
      0.22950820       0.22950820       0.22950820 1.0 
      0.22131148       0.22131148       0.22131148 1.0 
      0.21311475       0.21311475       0.21311475 1.0 
      0.20491803       0.20491803       0.20491803 1.0 
      0.19672131       0.19672131       0.19672131 1.0 
      0.18852459       0.18852459       0.18852459 1.0 
      0.18032787       0.18032787       0.18032787 1.0 
      0.17213115       0.17213115       0.17213115 1.0 
      0.16393443       0.16393443       0.16393443 1.0 
      0.15573770       0.15573770       0.15573770 1.0 
      0.14754098       0.14754098       0.14754098 1.0 
      0.13934426       0.13934426       0.13934426 1.0 
      0.13114754       0.13114754       0.13114754 1.0 
      0.12295082       0.12295082       0.12295082 1.0 
      0.11475410       0.11475410       0.11475410 1.0 
      0.10655738       0.10655738       0.10655738 1.0 
      0.09836066       0.09836066       0.09836066 1.0 
      0.09016393       0.09016393       0.09016393 1.0 
      0.08196721       0.08196721       0.08196721 1.0 
      0.07377049       0.07377049       0.07377049 1.0 
      0.06557377       0.06557377       0.06557377 1.0 
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      0.01639344       0.01639344       0.01639344 1.0 
      0.00819672       0.00819672       0.00819672 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.08006123      -0.00000000      -0.08006123 1.0 
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      0.21349660       0.00000000      -0.21349660 1.0 
      0.22239230      -0.00000000      -0.22239230 1.0 
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      0.30245352      -0.00000000      -0.30245352 1.0 
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      0.51520351       0.51520351       0.17271798 1.0 
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      0.57017004       0.43366498       0.43366498 1.0 
      0.57172938       0.44330198       0.44330198 1.0 
      0.57328871       0.45293898       0.45293898 1.0 
      0.57484805       0.46257598       0.46257598 1.0 

