! Pwscf input file created with ciftopw.py 
! Compound: Sr(ClO3)2
&control
         calculation     = 'bands'
         prefix          = 'SrxClO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.0456842372434849
         celldm(2)       =            0.8596188837753573
         celldm(3)       =            0.8057682004093533
         celldm(4)       =            0.2802317348688796
         celldm(5)       =            0.5648757092829356
         celldm(6)       =            0.6338170630724697
         nat             =       18
         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-05 
         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 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
297
      0.00000000       0.00000000       0.00000000 1.0 
      0.01785714       0.00000000       0.01785714 1.0 
      0.03571429       0.00000000       0.03571429 1.0 
      0.05357143       0.00000000       0.05357143 1.0 
      0.07142857       0.00000000       0.07142857 1.0 
      0.08928571       0.00000000       0.08928571 1.0 
      0.10714286       0.00000000       0.10714286 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.14285714       0.00000000       0.14285714 1.0 
      0.16071429       0.00000000       0.16071429 1.0 
      0.17857143       0.00000000       0.17857143 1.0 
      0.19642857       0.00000000       0.19642857 1.0 
      0.21428571       0.00000000       0.21428571 1.0 
      0.23214286       0.00000000       0.23214286 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.26785714       0.00000000       0.26785714 1.0 
      0.28571429       0.00000000       0.28571429 1.0 
      0.30357143       0.00000000       0.30357143 1.0 
      0.32142857       0.00000000       0.32142857 1.0 
      0.33928571       0.00000000       0.33928571 1.0 
      0.35714286       0.00000000       0.35714286 1.0 
      0.37500000       0.00000000       0.37500000 1.0 
      0.39285714       0.00000000       0.39285714 1.0 
      0.41071429       0.00000000       0.41071429 1.0 
      0.42857143       0.00000000       0.42857143 1.0 
      0.44642857       0.00000000       0.44642857 1.0 
      0.46428571       0.00000000       0.46428571 1.0 
      0.48214286       0.00000000       0.48214286 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.51923077       0.01923077       0.50000000 1.0 
      0.53846154       0.03846154       0.50000000 1.0 
      0.55769231       0.05769231       0.50000000 1.0 
      0.57692308       0.07692308       0.50000000 1.0 
      0.59615385       0.09615385       0.50000000 1.0 
      0.61538462       0.11538462       0.50000000 1.0 
      0.63461538       0.13461538       0.50000000 1.0 
      0.65384615       0.15384615       0.50000000 1.0 
      0.67307692       0.17307692       0.50000000 1.0 
      0.69230769       0.19230769       0.50000000 1.0 
      0.71153846       0.21153846       0.50000000 1.0 
      0.73076923       0.23076923       0.50000000 1.0 
      0.75000000       0.25000000       0.50000000 1.0 
      0.76923077       0.26923077       0.50000000 1.0 
      0.78846154       0.28846154       0.50000000 1.0 
      0.80769231       0.30769231       0.50000000 1.0 
      0.82692308       0.32692308       0.50000000 1.0 
      0.84615385       0.34615385       0.50000000 1.0 
      0.86538462       0.36538462       0.50000000 1.0 
      0.88461538       0.38461538       0.50000000 1.0 
      0.90384615       0.40384615       0.50000000 1.0 
      0.92307692       0.42307692       0.50000000 1.0 
      0.94230769       0.44230769       0.50000000 1.0 
      0.96153846       0.46153846       0.50000000 1.0 
      0.98076923       0.48076923       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      0.98214286       0.50000000       0.48214286 1.0 
      0.96428571       0.50000000       0.46428571 1.0 
      0.94642857       0.50000000       0.44642857 1.0 
      0.92857143       0.50000000       0.42857143 1.0 
      0.91071429       0.50000000       0.41071429 1.0 
      0.89285714       0.50000000       0.39285714 1.0 
      0.87500000       0.50000000       0.37500000 1.0 
      0.85714286       0.50000000       0.35714286 1.0 
      0.83928571       0.50000000       0.33928571 1.0 
      0.82142857       0.50000000       0.32142857 1.0 
      0.80357143       0.50000000       0.30357143 1.0 
      0.78571429       0.50000000       0.28571429 1.0 
      0.76785714       0.50000000       0.26785714 1.0 
      0.75000000       0.50000000       0.25000000 1.0 
      0.73214286       0.50000000       0.23214286 1.0 
      0.71428571       0.50000000       0.21428571 1.0 
      0.69642857       0.50000000       0.19642857 1.0 
      0.67857143       0.50000000       0.17857143 1.0 
      0.66071429       0.50000000       0.16071429 1.0 
      0.64285714       0.50000000       0.14285714 1.0 
      0.62500000       0.50000000       0.12500000 1.0 
      0.60714286       0.50000000       0.10714286 1.0 
      0.58928571       0.50000000       0.08928571 1.0 
      0.57142857       0.50000000       0.07142857 1.0 
      0.55357143       0.50000000       0.05357143 1.0 
      0.53571429       0.50000000       0.03571429 1.0 
      0.51785714       0.50000000       0.01785714 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48076923       0.48076923       0.00000000 1.0 
      0.46153846       0.46153846       0.00000000 1.0 
      0.44230769       0.44230769       0.00000000 1.0 
      0.42307692       0.42307692       0.00000000 1.0 
      0.40384615       0.40384615       0.00000000 1.0 
      0.38461538       0.38461538       0.00000000 1.0 
      0.36538462       0.36538462       0.00000000 1.0 
      0.34615385       0.34615385       0.00000000 1.0 
      0.32692308       0.32692308       0.00000000 1.0 
      0.30769231       0.30769231       0.00000000 1.0 
      0.28846154       0.28846154       0.00000000 1.0 
      0.26923077       0.26923077       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.23076923       0.23076923       0.00000000 1.0 
      0.21153846       0.21153846       0.00000000 1.0 
      0.19230769       0.19230769       0.00000000 1.0 
      0.17307692       0.17307692       0.00000000 1.0 
      0.15384615       0.15384615       0.00000000 1.0 
      0.13461538       0.13461538       0.00000000 1.0 
      0.11538462       0.11538462       0.00000000 1.0 
      0.09615385       0.09615385       0.00000000 1.0 
      0.07692308       0.07692308       0.00000000 1.0 
      0.05769231       0.05769231       0.00000000 1.0 
      0.03846154       0.03846154       0.00000000 1.0 
      0.01923077       0.01923077       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01172835       0.01172835 1.0 
      0.00000000       0.02345670       0.02345670 1.0 
      0.00000000       0.03518505       0.03518505 1.0 
      0.00000000       0.04691340       0.04691340 1.0 
      0.00000000       0.05864175       0.05864175 1.0 
      0.00000000       0.07037010       0.07037010 1.0 
      0.00000000       0.08209845       0.08209845 1.0 
      0.00000000       0.09382680       0.09382680 1.0 
      0.00000000       0.10555516       0.10555516 1.0 
      0.00000000       0.11728351       0.11728351 1.0 
      0.00000000       0.12901186       0.12901186 1.0 
      0.00000000       0.14074021       0.14074021 1.0 
      0.00000000       0.15246856       0.15246856 1.0 
      0.00000000       0.16419691       0.16419691 1.0 
      0.00000000       0.17592526       0.17592526 1.0 
      0.00000000       0.18765361       0.18765361 1.0 
      0.00000000       0.19938196       0.19938196 1.0 
      0.00000000       0.21111031       0.21111031 1.0 
      0.00000000       0.22283866       0.22283866 1.0 
      0.00000000       0.23456701       0.23456701 1.0 
      0.00000000       0.24629536       0.24629536 1.0 
      0.00000000       0.25802371       0.25802371 1.0 
      0.00000000       0.26975206       0.26975206 1.0 
      0.00000000       0.28148041       0.28148041 1.0 
      0.00000000       0.29320876       0.29320876 1.0 
      0.00000000       0.30493712       0.30493712 1.0 
      0.00000000       0.31666547       0.31666547 1.0 
      0.00000000       0.32839382       0.32839382 1.0 
      0.00000000       0.34012217       0.34012217 1.0 
      0.00000000       0.35185052       0.35185052 1.0 
      0.00000000       0.36357887       0.36357887 1.0 
      0.00000000       0.37530722       0.37530722 1.0 
      0.00000000       0.38703557       0.38703557 1.0 
      0.00000000       0.39876392       0.39876392 1.0 
      0.00000000       0.41049227       0.41049227 1.0 
      0.00000000       0.42222062       0.42222062 1.0 
      0.00000000       0.43394897       0.43394897 1.0 
      0.00000000       0.44567732       0.44567732 1.0 
      0.00000000       0.44567732       0.44567732 1.0 
      0.01515152       0.43921593       0.45436744 1.0 
      0.03030303       0.43275453       0.46305756 1.0 
      0.04545455       0.42629313       0.47174768 1.0 
      0.06060606       0.41983173       0.48043780 1.0 
      0.07575758       0.41337034       0.48912791 1.0 
      0.09090909       0.40690894       0.49781803 1.0 
      0.10606061       0.40044754       0.50650815 1.0 
      0.12121212       0.39398615       0.51519827 1.0 
      0.13636364       0.38752475       0.52388839 1.0 
      0.15151515       0.38106335       0.53257850 1.0 
      0.16666667       0.37460196       0.54126862 1.0 
      0.18181818       0.36814056       0.54995874 1.0 
      0.19696970       0.36167916       0.55864886 1.0 
      0.21212121       0.35521776       0.56733898 1.0 
      0.22727273       0.34875637       0.57602909 1.0 
      0.24242424       0.34229497       0.58471921 1.0 
      0.25757576       0.33583357       0.59340933 1.0 
      0.27272727       0.32937218       0.60209945 1.0 
      0.28787879       0.32291078       0.61078957 1.0 
      0.30303030       0.31644938       0.61947969 1.0 
      0.31818182       0.30998799       0.62816980 1.0 
      0.33333333       0.30352659       0.63685992 1.0 
      0.34848485       0.29706519       0.64555004 1.0 
      0.36363636       0.29060379       0.65424016 1.0 
      0.37878788       0.28414240       0.66293028 1.0 
      0.39393939       0.27768100       0.67162039 1.0 
      0.40909091       0.27121960       0.68031051 1.0 
      0.42424242       0.26475821       0.68900063 1.0 
      0.43939394       0.25829681       0.69769075 1.0 
      0.45454545       0.25183541       0.70638087 1.0 
      0.46969697       0.24537401       0.71507098 1.0 
      0.48484848       0.23891262       0.72376110 1.0 
      0.50000000       0.23245122       0.73245122 1.0 
      0.50000000       0.23245122       0.73245122 1.0 
      0.50000000       0.22082866       0.72082866 1.0 
      0.50000000       0.20920610       0.70920610 1.0 
      0.50000000       0.19758354       0.69758354 1.0 
      0.50000000       0.18596098       0.68596098 1.0 
      0.50000000       0.17433842       0.67433842 1.0 
      0.50000000       0.16271585       0.66271585 1.0 
      0.50000000       0.15109329       0.65109329 1.0 
      0.50000000       0.13947073       0.63947073 1.0 
      0.50000000       0.12784817       0.62784817 1.0 
      0.50000000       0.11622561       0.61622561 1.0 
      0.50000000       0.10460305       0.60460305 1.0 
      0.50000000       0.09298049       0.59298049 1.0 
      0.50000000       0.08135793       0.58135793 1.0 
      0.50000000       0.06973537       0.56973537 1.0 
      0.50000000       0.05811281       0.55811281 1.0 
      0.50000000       0.04649024       0.54649024 1.0 
      0.50000000       0.03486768       0.53486768 1.0 
      0.50000000       0.02324512       0.52324512 1.0 
      0.50000000       0.01162256       0.51162256 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      1.00000000       0.51086454       0.51086454 1.0 
      1.00000000       0.52172907       0.52172907 1.0 
      1.00000000       0.53259361       0.53259361 1.0 
      1.00000000       0.54345814       0.54345814 1.0 
      1.00000000       0.55432268       0.55432268 1.0 
      0.00000000       0.44567732       0.44567732 1.0 
      0.01666667       0.45640637       0.43973970 1.0 
      0.03333333       0.46713542       0.43380209 1.0 
      0.05000000       0.47786447       0.42786447 1.0 
      0.06666667       0.48859352       0.42192685 1.0 
      0.08333333       0.49932257       0.41598923 1.0 
      0.10000000       0.51005161       0.41005161 1.0 
      0.11666667       0.52078066       0.40411400 1.0 
      0.13333333       0.53150971       0.39817638 1.0 
      0.15000000       0.54223876       0.39223876 1.0 
      0.16666667       0.55296781       0.38630114 1.0 
      0.18333333       0.56369686       0.38036352 1.0 
      0.20000000       0.57442591       0.37442591 1.0 
      0.21666667       0.58515495       0.36848829 1.0 
      0.23333333       0.59588400       0.36255067 1.0 
      0.25000000       0.60661305       0.35661305 1.0 
      0.26666667       0.61734210       0.35067543 1.0 
      0.28333333       0.62807115       0.34473781 1.0 
      0.30000000       0.63880020       0.33880020 1.0 
      0.31666667       0.64952925       0.33286258 1.0 
      0.33333333       0.66025829       0.32692496 1.0 
      0.35000000       0.67098734       0.32098734 1.0 
      0.36666667       0.68171639       0.31504972 1.0 
      0.38333333       0.69244544       0.30911211 1.0 
      0.40000000       0.70317449       0.30317449 1.0 
      0.41666667       0.71390354       0.29723687 1.0 
      0.43333333       0.72463258       0.29129925 1.0 
      0.45000000       0.73536163       0.28536163 1.0 
      0.46666667       0.74609068       0.27942402 1.0 
      0.48333333       0.75681973       0.27348640 1.0 
      0.50000000       0.76754878       0.26754878 1.0 
      0.50000000       0.76754878       0.26754878 1.0 
      0.50000000       0.75591622       0.25591622 1.0 
      0.50000000       0.74428367       0.24428367 1.0 
      0.50000000       0.73265111       0.23265111 1.0 
      0.50000000       0.72101856       0.22101856 1.0 
      0.50000000       0.70938600       0.20938600 1.0 
      0.50000000       0.69775345       0.19775345 1.0 
      0.50000000       0.68612089       0.18612089 1.0 
      0.50000000       0.67448833       0.17448833 1.0 
      0.50000000       0.66285578       0.16285578 1.0 
      0.50000000       0.65122322       0.15122322 1.0 
      0.50000000       0.63959067       0.13959067 1.0 
      0.50000000       0.62795811       0.12795811 1.0 
      0.50000000       0.61632556       0.11632556 1.0 
      0.50000000       0.60469300       0.10469300 1.0 
      0.50000000       0.59306044       0.09306044 1.0 
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      0.50000000       0.56979533       0.06979533 1.0 
      0.50000000       0.55816278       0.05816278 1.0 
      0.50000000       0.54653022       0.04653022 1.0 
      0.50000000       0.53489767       0.03489767 1.0 
      0.50000000       0.52326511       0.02326511 1.0 
      0.50000000       0.51163256       0.01163256 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48275862       0.48275862       0.48275862 1.0 
      0.46551724       0.46551724       0.46551724 1.0 
      0.44827586       0.44827586       0.44827586 1.0 
      0.43103448       0.43103448       0.43103448 1.0 
      0.41379310       0.41379310       0.41379310 1.0 
      0.39655172       0.39655172       0.39655172 1.0 
      0.37931034       0.37931034       0.37931034 1.0 
      0.36206897       0.36206897       0.36206897 1.0 
      0.34482759       0.34482759       0.34482759 1.0 
      0.32758621       0.32758621       0.32758621 1.0 
      0.31034483       0.31034483       0.31034483 1.0 
      0.29310345       0.29310345       0.29310345 1.0 
      0.27586207       0.27586207       0.27586207 1.0 
      0.25862069       0.25862069       0.25862069 1.0 
      0.24137931       0.24137931       0.24137931 1.0 
      0.22413793       0.22413793       0.22413793 1.0 
      0.20689655       0.20689655       0.20689655 1.0 
      0.18965517       0.18965517       0.18965517 1.0 
      0.17241379       0.17241379       0.17241379 1.0 
      0.15517241       0.15517241       0.15517241 1.0 
      0.13793103       0.13793103       0.13793103 1.0 
      0.12068966       0.12068966       0.12068966 1.0 
      0.10344828       0.10344828       0.10344828 1.0 
      0.08620690       0.08620690       0.08620690 1.0 
      0.06896552       0.06896552       0.06896552 1.0 
      0.05172414       0.05172414       0.05172414 1.0 
      0.03448276       0.03448276       0.03448276 1.0 
      0.01724138       0.01724138       0.01724138 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

