! Pwscf input file created with ciftopw.py 
! Compound: As2S3
&control
         calculation     = 'bands'
         prefix          = 'As2S3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.0846777147299989
         celldm(2)       =            0.4409613375130617
         celldm(3)       =            1.2724850988723002
         celldm(4)       =            0.3383233171257270
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        2
         ecutwfc         =       40.00000000
         ecutrho         =      182.00000000
         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 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
196
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03571429 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
      0.00000000       0.00000000       0.10714286 1.0 
      0.00000000       0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.17857143 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.32142857 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.39285714 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.46428571 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01311661       0.51280577 1.0 
      0.00000000       0.02623322       0.52561154 1.0 
      0.00000000       0.03934983       0.53841732 1.0 
      0.00000000       0.05246645       0.55122309 1.0 
      0.00000000       0.06558306       0.56402886 1.0 
      0.00000000       0.07869967       0.57683463 1.0 
      0.00000000       0.09181628       0.58964041 1.0 
      0.00000000       0.10493289       0.60244618 1.0 
      0.00000000       0.11804950       0.61525195 1.0 
      0.00000000       0.13116612       0.62805772 1.0 
      0.00000000       0.14428273       0.64086350 1.0 
      0.00000000       0.15739934       0.65366927 1.0 
      0.00000000       0.17051595       0.66647504 1.0 
      0.00000000       0.18363256       0.67928081 1.0 
      0.00000000       0.19674917       0.69208659 1.0 
      0.00000000       0.20986578       0.70489236 1.0 
      0.00000000       0.22298240       0.71769813 1.0 
      0.00000000       0.23609901       0.73050390 1.0 
      0.00000000       0.24921562       0.74330968 1.0 
      0.00000000       0.26233223       0.75611545 1.0 
      0.00000000       0.27544884       0.76892122 1.0 
      0.00000000       0.28856545       0.78172699 1.0 
      0.00000000       0.30168207       0.79453277 1.0 
      0.00000000       0.31479868       0.80733854 1.0 
      0.00000000       0.32791529       0.82014431 1.0 
      0.00000000       0.34103190       0.83295008 1.0 
      0.00000000       0.35414851       0.84575586 1.0 
      0.00000000       0.36726512       0.85856163 1.0 
      0.00000000       0.38038173       0.87136740 1.0 
      0.00000000       0.39349835       0.88417317 1.0 
      0.00000000       0.40661496       0.89697894 1.0 
      0.00000000       0.41973157       0.90978472 1.0 
      0.00000000       0.43284818       0.92259049 1.0 
      0.00000000       0.44596479       0.93539626 1.0 
      0.00000000       0.45908140       0.94820203 1.0 
      0.00000000       0.47219802       0.96100781 1.0 
      0.00000000       0.48531463       0.97381358 1.0 
      0.00000000       0.49843124       0.98661935 1.0 
      0.00000000       0.49843124       0.98661935 1.0 
      0.00000000       0.49854329       0.95186083 1.0 
      0.00000000       0.49865535       0.91710230 1.0 
      0.00000000       0.49876740       0.88234378 1.0 
      0.00000000       0.49887946       0.84758525 1.0 
      0.00000000       0.49899151       0.81282673 1.0 
      0.00000000       0.49910356       0.77806820 1.0 
      0.00000000       0.49921562       0.74330968 1.0 
      0.00000000       0.49932767       0.70855115 1.0 
      0.00000000       0.49943973       0.67379263 1.0 
      0.00000000       0.49955178       0.63903410 1.0 
      0.00000000       0.49966384       0.60427558 1.0 
      0.00000000       0.49977589       0.56951705 1.0 
      0.00000000       0.49988795       0.53475853 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02941176       0.50000000       0.50000000 1.0 
      0.05882353       0.50000000       0.50000000 1.0 
      0.08823529       0.50000000       0.50000000 1.0 
      0.11764706       0.50000000       0.50000000 1.0 
      0.14705882       0.50000000       0.50000000 1.0 
      0.17647059       0.50000000       0.50000000 1.0 
      0.20588235       0.50000000       0.50000000 1.0 
      0.23529412       0.50000000       0.50000000 1.0 
      0.26470588       0.50000000       0.50000000 1.0 
      0.29411765       0.50000000       0.50000000 1.0 
      0.32352941       0.50000000       0.50000000 1.0 
      0.35294118       0.50000000       0.50000000 1.0 
      0.38235294       0.50000000       0.50000000 1.0 
      0.41176471       0.50000000       0.50000000 1.0 
      0.44117647       0.50000000       0.50000000 1.0 
      0.47058824       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50011205       0.46524147 1.0 
      0.50000000       0.50022411       0.43048295 1.0 
      0.50000000       0.50033616       0.39572442 1.0 
      0.50000000       0.50044822       0.36096590 1.0 
      0.50000000       0.50056027       0.32620737 1.0 
      0.50000000       0.50067233       0.29144885 1.0 
      0.50000000       0.50078438       0.25669032 1.0 
      0.50000000       0.50089644       0.22193180 1.0 
      0.50000000       0.50100849       0.18717327 1.0 
      0.50000000       0.50112054       0.15241475 1.0 
      0.50000000       0.50123260       0.11765622 1.0 
      0.50000000       0.50134465       0.08289770 1.0 
      0.50000000       0.50145671       0.04813917 1.0 
      0.50000000       0.50156876       0.01338065 1.0 
      0.50000000       0.50156876       0.01338065 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47058824       0.50000000      -0.00000000 1.0 
      0.44117647       0.50000000      -0.00000000 1.0 
      0.41176471       0.50000000      -0.00000000 1.0 
      0.38235294       0.50000000      -0.00000000 1.0 
      0.35294118       0.50000000      -0.00000000 1.0 
      0.32352941       0.50000000      -0.00000000 1.0 
      0.29411765       0.50000000      -0.00000000 1.0 
      0.26470588       0.50000000      -0.00000000 1.0 
      0.23529412       0.50000000      -0.00000000 1.0 
      0.20588235       0.50000000      -0.00000000 1.0 
      0.17647059       0.50000000      -0.00000000 1.0 
      0.14705882       0.50000000      -0.00000000 1.0 
      0.11764706       0.50000000      -0.00000000 1.0 
      0.08823529       0.50000000      -0.00000000 1.0 
      0.05882353       0.50000000      -0.00000000 1.0 
      0.02941176       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50156876       0.01338065 1.0 
      0.50000000       0.49843124       0.98661935 1.0 
      0.50000000       0.48531463       0.97381358 1.0 
      0.50000000       0.47219802       0.96100781 1.0 
      0.50000000       0.45908140       0.94820203 1.0 
      0.50000000       0.44596479       0.93539626 1.0 
      0.50000000       0.43284818       0.92259049 1.0 
      0.50000000       0.41973157       0.90978472 1.0 
      0.50000000       0.40661496       0.89697894 1.0 
      0.50000000       0.39349835       0.88417317 1.0 
      0.50000000       0.38038173       0.87136740 1.0 
      0.50000000       0.36726512       0.85856163 1.0 
      0.50000000       0.35414851       0.84575586 1.0 
      0.50000000       0.34103190       0.83295008 1.0 
      0.50000000       0.32791529       0.82014431 1.0 
      0.50000000       0.31479868       0.80733854 1.0 
      0.50000000       0.30168207       0.79453277 1.0 
      0.50000000       0.28856545       0.78172699 1.0 
      0.50000000       0.27544884       0.76892122 1.0 
      0.50000000       0.26233223       0.75611545 1.0 
      0.50000000       0.24921562       0.74330968 1.0 
      0.50000000       0.23609901       0.73050390 1.0 
      0.50000000       0.22298240       0.71769813 1.0 
      0.50000000       0.20986578       0.70489236 1.0 
      0.50000000       0.19674917       0.69208659 1.0 
      0.50000000       0.18363256       0.67928081 1.0 
      0.50000000       0.17051595       0.66647504 1.0 
      0.50000000       0.15739934       0.65366927 1.0 
      0.50000000       0.14428273       0.64086350 1.0 
      0.50000000       0.13116612       0.62805772 1.0 
      0.50000000       0.11804950       0.61525195 1.0 
      0.50000000       0.10493289       0.60244618 1.0 
      0.50000000       0.09181628       0.58964041 1.0 
      0.50000000       0.07869967       0.57683463 1.0 
      0.50000000       0.06558306       0.56402886 1.0 
      0.50000000       0.05246645       0.55122309 1.0 
      0.50000000       0.03934983       0.53841732 1.0 
      0.50000000       0.02623322       0.52561154 1.0 
      0.50000000       0.01311661       0.51280577 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46428571 1.0 
      0.50000000       0.00000000       0.42857143 1.0 
      0.50000000       0.00000000       0.39285714 1.0 
      0.50000000       0.00000000       0.35714286 1.0 
      0.50000000       0.00000000       0.32142857 1.0 
      0.50000000       0.00000000       0.28571429 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.21428571 1.0 
      0.50000000       0.00000000       0.17857143 1.0 
      0.50000000       0.00000000       0.14285714 1.0 
      0.50000000       0.00000000       0.10714286 1.0 
      0.50000000       0.00000000       0.07142857 1.0 
      0.50000000       0.00000000       0.03571429 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02941176       0.00000000       0.50000000 1.0 
      0.05882353       0.00000000       0.50000000 1.0 
      0.08823529       0.00000000       0.50000000 1.0 
      0.11764706       0.00000000       0.50000000 1.0 
      0.14705882       0.00000000       0.50000000 1.0 
      0.17647059       0.00000000       0.50000000 1.0 
      0.20588235       0.00000000       0.50000000 1.0 
      0.23529412       0.00000000       0.50000000 1.0 
      0.26470588       0.00000000       0.50000000 1.0 
      0.29411765       0.00000000       0.50000000 1.0 
      0.32352941       0.00000000       0.50000000 1.0 
      0.35294118       0.00000000       0.50000000 1.0 
      0.38235294       0.00000000       0.50000000 1.0 
      0.41176471       0.00000000       0.50000000 1.0 
      0.44117647       0.00000000       0.50000000 1.0 
      0.47058824       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

