! Pwscf input file created with ciftopw.py 
! Compound: H4S(NO)2
&control
         calculation     = 'bands'
         prefix          = 'H4SxNOx2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.0177688381451873
         celldm(2)       =            0.9112781212606256
         celldm(3)       =            0.5308399394901322
         celldm(4)       =            0.1159902021993262
         celldm(5)       =            0.4251406059452903
         celldm(6)       =            0.8497058893436871
         nat             =       18
         ntyp            =        4
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
358
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571       0.00000000       0.01428571 1.0 
      0.02857143       0.00000000       0.02857143 1.0 
      0.04285714       0.00000000       0.04285714 1.0 
      0.05714286       0.00000000       0.05714286 1.0 
      0.07142857       0.00000000       0.07142857 1.0 
      0.08571429       0.00000000       0.08571429 1.0 
      0.10000000       0.00000000       0.10000000 1.0 
      0.11428571       0.00000000       0.11428571 1.0 
      0.12857143       0.00000000       0.12857143 1.0 
      0.14285714       0.00000000       0.14285714 1.0 
      0.15714286       0.00000000       0.15714286 1.0 
      0.17142857       0.00000000       0.17142857 1.0 
      0.18571429       0.00000000       0.18571429 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
      0.21428571       0.00000000       0.21428571 1.0 
      0.22857143       0.00000000       0.22857143 1.0 
      0.24285714       0.00000000       0.24285714 1.0 
      0.25714286       0.00000000       0.25714286 1.0 
      0.27142857       0.00000000       0.27142857 1.0 
      0.28571429       0.00000000       0.28571429 1.0 
      0.30000000       0.00000000       0.30000000 1.0 
      0.31428571       0.00000000       0.31428571 1.0 
      0.32857143       0.00000000       0.32857143 1.0 
      0.34285714       0.00000000       0.34285714 1.0 
      0.35714286       0.00000000       0.35714286 1.0 
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      0.38571429       0.00000000       0.38571429 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.41428571       0.00000000       0.41428571 1.0 
      0.42857143       0.00000000       0.42857143 1.0 
      0.44285714       0.00000000       0.44285714 1.0 
      0.45714286       0.00000000       0.45714286 1.0 
      0.47142857       0.00000000       0.47142857 1.0 
      0.48571429       0.00000000       0.48571429 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
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      0.52631579       0.02631579       0.50000000 1.0 
      0.55263158       0.05263158       0.50000000 1.0 
      0.57894737       0.07894737       0.50000000 1.0 
      0.60526316       0.10526316       0.50000000 1.0 
      0.63157895       0.13157895       0.50000000 1.0 
      0.65789474       0.15789474       0.50000000 1.0 
      0.68421053       0.18421053       0.50000000 1.0 
      0.71052632       0.21052632       0.50000000 1.0 
      0.73684211       0.23684211       0.50000000 1.0 
      0.76315789       0.26315789       0.50000000 1.0 
      0.78947368       0.28947368       0.50000000 1.0 
      0.81578947       0.31578947       0.50000000 1.0 
      0.84210526       0.34210526       0.50000000 1.0 
      0.86842105       0.36842105       0.50000000 1.0 
      0.89473684       0.39473684       0.50000000 1.0 
      0.92105263       0.42105263       0.50000000 1.0 
      0.94736842       0.44736842       0.50000000 1.0 
      0.97368421       0.47368421       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      0.98571429       0.50000000       0.48571429 1.0 
      0.97142857       0.50000000       0.47142857 1.0 
      0.95714286       0.50000000       0.45714286 1.0 
      0.94285714       0.50000000       0.44285714 1.0 
      0.92857143       0.50000000       0.42857143 1.0 
      0.91428571       0.50000000       0.41428571 1.0 
      0.90000000       0.50000000       0.40000000 1.0 
      0.88571429       0.50000000       0.38571429 1.0 
      0.87142857       0.50000000       0.37142857 1.0 
      0.85714286       0.50000000       0.35714286 1.0 
      0.84285714       0.50000000       0.34285714 1.0 
      0.82857143       0.50000000       0.32857143 1.0 
      0.81428571       0.50000000       0.31428571 1.0 
      0.80000000       0.50000000       0.30000000 1.0 
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      0.77142857       0.50000000       0.27142857 1.0 
      0.75714286       0.50000000       0.25714286 1.0 
      0.74285714       0.50000000       0.24285714 1.0 
      0.72857143       0.50000000       0.22857143 1.0 
      0.71428571       0.50000000       0.21428571 1.0 
      0.70000000       0.50000000       0.20000000 1.0 
      0.68571429       0.50000000       0.18571429 1.0 
      0.67142857       0.50000000       0.17142857 1.0 
      0.65714286       0.50000000       0.15714286 1.0 
      0.64285714       0.50000000       0.14285714 1.0 
      0.62857143       0.50000000       0.12857143 1.0 
      0.61428571       0.50000000       0.11428571 1.0 
      0.60000000       0.50000000       0.10000000 1.0 
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      0.57142857       0.50000000       0.07142857 1.0 
      0.55714286       0.50000000       0.05714286 1.0 
      0.54285714       0.50000000       0.04285714 1.0 
      0.52857143       0.50000000       0.02857143 1.0 
      0.51428571       0.50000000       0.01428571 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47368421       0.47368421       0.00000000 1.0 
      0.44736842       0.44736842       0.00000000 1.0 
      0.42105263       0.42105263       0.00000000 1.0 
      0.39473684       0.39473684       0.00000000 1.0 
      0.36842105       0.36842105       0.00000000 1.0 
      0.34210526       0.34210526       0.00000000 1.0 
      0.31578947       0.31578947       0.00000000 1.0 
      0.28947368       0.28947368       0.00000000 1.0 
      0.26315789       0.26315789       0.00000000 1.0 
      0.23684211       0.23684211       0.00000000 1.0 
      0.21052632       0.21052632       0.00000000 1.0 
      0.18421053       0.18421053       0.00000000 1.0 
      0.15789474       0.15789474       0.00000000 1.0 
      0.13157895       0.13157895       0.00000000 1.0 
      0.10526316       0.10526316       0.00000000 1.0 
      0.07894737       0.07894737       0.00000000 1.0 
      0.05263158       0.05263158       0.00000000 1.0 
      0.02631579       0.02631579       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000       0.00717981       0.00717981 1.0 
     -0.00000000       0.01435962       0.01435962 1.0 
     -0.00000000       0.02153943       0.02153943 1.0 
     -0.00000000       0.02871924       0.02871924 1.0 
     -0.00000000       0.03589905       0.03589905 1.0 
     -0.00000000       0.04307886       0.04307886 1.0 
     -0.00000000       0.05025867       0.05025867 1.0 
     -0.00000000       0.05743848       0.05743848 1.0 
     -0.00000000       0.06461829       0.06461829 1.0 
     -0.00000000       0.07179810       0.07179810 1.0 
     -0.00000000       0.07897791       0.07897791 1.0 
     -0.00000000       0.08615772       0.08615772 1.0 
     -0.00000000       0.09333753       0.09333753 1.0 
     -0.00000000       0.10051734       0.10051734 1.0 
     -0.00000000       0.10769715       0.10769715 1.0 
     -0.00000000       0.11487696       0.11487696 1.0 
     -0.00000000       0.12205677       0.12205677 1.0 
     -0.00000000       0.12923658       0.12923658 1.0 
     -0.00000000       0.13641639       0.13641639 1.0 
     -0.00000000       0.14359620       0.14359620 1.0 
     -0.00000000       0.15077601       0.15077601 1.0 
     -0.00000000       0.15795582       0.15795582 1.0 
     -0.00000000       0.16513563       0.16513563 1.0 
     -0.00000000       0.17231544       0.17231544 1.0 
     -0.00000000       0.17949525       0.17949525 1.0 
     -0.00000000       0.18667506       0.18667506 1.0 
     -0.00000000       0.19385487       0.19385487 1.0 
     -0.00000000       0.20103468       0.20103468 1.0 
     -0.00000000       0.20821449       0.20821449 1.0 
     -0.00000000       0.21539430       0.21539430 1.0 
     -0.00000000       0.22257411       0.22257411 1.0 
     -0.00000000       0.22975392       0.22975392 1.0 
     -0.00000000       0.23693373       0.23693373 1.0 
     -0.00000000       0.24411354       0.24411354 1.0 
     -0.00000000       0.25129335       0.25129335 1.0 
     -0.00000000       0.25847316       0.25847316 1.0 
     -0.00000000       0.26565297       0.26565297 1.0 
     -0.00000000       0.27283278       0.27283278 1.0 
     -0.00000000       0.28001259       0.28001259 1.0 
     -0.00000000       0.28719240       0.28719240 1.0 
     -0.00000000       0.29437221       0.29437221 1.0 
     -0.00000000       0.30155202       0.30155202 1.0 
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     -0.00000000       0.31591164       0.31591164 1.0 
     -0.00000000       0.32309145       0.32309145 1.0 
     -0.00000000       0.33027126       0.33027126 1.0 
     -0.00000000       0.33027126       0.33027126 1.0 
      0.01282051       0.32708380       0.33990431 1.0 
      0.02564103       0.32389634       0.34953736 1.0 
      0.03846154       0.32070888       0.35917041 1.0 
      0.05128205       0.31752141       0.36880347 1.0 
      0.06410256       0.31433395       0.37843652 1.0 
      0.07692308       0.31114649       0.38806957 1.0 
      0.08974359       0.30795903       0.39770262 1.0 
      0.10256410       0.30477156       0.40733567 1.0 
      0.11538462       0.30158410       0.41696872 1.0 
      0.12820513       0.29839664       0.42660177 1.0 
      0.14102564       0.29520918       0.43623482 1.0 
      0.15384615       0.29202172       0.44586787 1.0 
      0.16666667       0.28883425       0.45550092 1.0 
      0.17948718       0.28564679       0.46513397 1.0 
      0.19230769       0.28245933       0.47476702 1.0 
      0.20512821       0.27927187       0.48440007 1.0 
      0.21794872       0.27608440       0.49403312 1.0 
      0.23076923       0.27289694       0.50366617 1.0 
      0.24358974       0.26970948       0.51329922 1.0 
      0.25641026       0.26652202       0.52293227 1.0 
      0.26923077       0.26333455       0.53256532 1.0 
      0.28205128       0.26014709       0.54219837 1.0 
      0.29487179       0.25695963       0.55183143 1.0 
      0.30769231       0.25377217       0.56146448 1.0 
      0.32051282       0.25058471       0.57109753 1.0 
      0.33333333       0.24739724       0.58073058 1.0 
      0.34615385       0.24420978       0.59036363 1.0 
      0.35897436       0.24102232       0.59999668 1.0 
      0.37179487       0.23783486       0.60962973 1.0 
      0.38461538       0.23464739       0.61926278 1.0 
      0.39743590       0.23145993       0.62889583 1.0 
      0.41025641       0.22827247       0.63852888 1.0 
      0.42307692       0.22508501       0.64816193 1.0 
      0.43589744       0.22189754       0.65779498 1.0 
      0.44871795       0.21871008       0.66742803 1.0 
      0.46153846       0.21552262       0.67706108 1.0 
      0.47435897       0.21233516       0.68669413 1.0 
      0.48717949       0.20914770       0.69632718 1.0 
      0.50000000       0.20596023       0.70596023 1.0 
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      0.50000000       0.19885816       0.69885816 1.0 
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      0.50000000       0.18465400       0.68465400 1.0 
      0.50000000       0.17755193       0.67755193 1.0 
      0.50000000       0.17044985       0.67044985 1.0 
      0.50000000       0.16334777       0.66334777 1.0 
      0.50000000       0.15624569       0.65624569 1.0 
      0.50000000       0.14914362       0.64914362 1.0 
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      0.50000000       0.00000000       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
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      1.00000000       0.55657625       0.55657625 1.0 
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      1.00000000       0.57779234       0.57779234 1.0 
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      1.00000000       0.61315249       0.61315249 1.0 
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      0.26250000       0.26250000       0.26250000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23750000       0.23750000       0.23750000 1.0 
      0.22500000       0.22500000       0.22500000 1.0 
      0.21250000       0.21250000       0.21250000 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18750000       0.18750000       0.18750000 1.0 
      0.17500000       0.17500000       0.17500000 1.0 
      0.16250000       0.16250000       0.16250000 1.0 
      0.15000000       0.15000000       0.15000000 1.0 
      0.13750000       0.13750000       0.13750000 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.11250000       0.11250000       0.11250000 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08750000       0.08750000       0.08750000 1.0 
      0.07500000       0.07500000       0.07500000 1.0 
      0.06250000       0.06250000       0.06250000 1.0 
      0.05000000       0.05000000       0.05000000 1.0 
      0.03750000       0.03750000       0.03750000 1.0 
      0.02500000       0.02500000       0.02500000 1.0 
      0.01250000       0.01250000       0.01250000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

