! 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)       =            8.0747991509969985
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0836778433323154
         celldm(5)       =            0.0836778433323154
         celldm(6)       =            0.0836778433323154
         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
302
      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 
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      0.34210526      -0.00000000       0.00000000 1.0 
      0.35526316       0.00000000       0.00000000 1.0 
      0.36842105      -0.00000000      -0.00000000 1.0 
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      0.39473684      -0.00000000      -0.00000000 1.0 
      0.40789474      -0.00000000       0.00000000 1.0 
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      0.50000000       0.06379211      -0.06379211 1.0 
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      0.54480096       0.50000000       0.45519904 1.0 
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      0.52688057       0.50000000       0.47311943 1.0 
      0.51792038       0.50000000       0.48207962 1.0 
      0.50896019       0.50000000       0.49103981 1.0 
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      0.44915254       0.44915254       0.44915254 1.0 
      0.44067797       0.44067797       0.44067797 1.0 
      0.43220339       0.43220339       0.43220339 1.0 
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      0.41525424       0.41525424       0.41525424 1.0 
      0.40677966       0.40677966       0.40677966 1.0 
      0.39830508       0.39830508       0.39830508 1.0 
      0.38983051       0.38983051       0.38983051 1.0 
      0.38135593       0.38135593       0.38135593 1.0 
      0.37288136       0.37288136       0.37288136 1.0 
      0.36440678       0.36440678       0.36440678 1.0 
      0.35593220       0.35593220       0.35593220 1.0 
      0.34745763       0.34745763       0.34745763 1.0 
      0.33898305       0.33898305       0.33898305 1.0 
      0.33050847       0.33050847       0.33050847 1.0 
      0.32203390       0.32203390       0.32203390 1.0 
      0.31355932       0.31355932       0.31355932 1.0 
      0.30508475       0.30508475       0.30508475 1.0 
      0.29661017       0.29661017       0.29661017 1.0 
      0.28813559       0.28813559       0.28813559 1.0 
      0.27966102       0.27966102       0.27966102 1.0 
      0.27118644       0.27118644       0.27118644 1.0 
      0.26271186       0.26271186       0.26271186 1.0 
      0.25423729       0.25423729       0.25423729 1.0 
      0.24576271       0.24576271       0.24576271 1.0 
      0.23728814       0.23728814       0.23728814 1.0 
      0.22881356       0.22881356       0.22881356 1.0 
      0.22033898       0.22033898       0.22033898 1.0 
      0.21186441       0.21186441       0.21186441 1.0 
      0.20338983       0.20338983       0.20338983 1.0 
      0.19491525       0.19491525       0.19491525 1.0 
      0.18644068       0.18644068       0.18644068 1.0 
      0.17796610       0.17796610       0.17796610 1.0 
      0.16949153       0.16949153       0.16949153 1.0 
      0.16101695       0.16101695       0.16101695 1.0 
      0.15254237       0.15254237       0.15254237 1.0 
      0.14406780       0.14406780       0.14406780 1.0 
      0.13559322       0.13559322       0.13559322 1.0 
      0.12711864       0.12711864       0.12711864 1.0 
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      0.11016949       0.11016949       0.11016949 1.0 
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      0.09322034       0.09322034       0.09322034 1.0 
      0.08474576       0.08474576       0.08474576 1.0 
      0.07627119       0.07627119       0.07627119 1.0 
      0.06779661       0.06779661       0.06779661 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
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      0.20022555      -0.00000000      -0.20022555 1.0 
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      0.57015639       0.45428351       0.45428351 1.0 
      0.57168153       0.46415923       0.46415923 1.0 

