! Pwscf input file created with ciftopw.py 
! Compound: K2AsAuS4
&control
         calculation     = 'bands'
         prefix          = 'K2AsAuS4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.9616305585510005
         celldm(2)       =            0.9556786703601108
         celldm(3)       =            1.3898527482140253
         celldm(4)       =            0.0460603900408521
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         ntyp            =        4
         ecutwfc         =       42.00000000
         ecutrho         =      424.00000000
         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 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
198
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02941176 1.0 
      0.00000000       0.00000000       0.05882353 1.0 
      0.00000000       0.00000000       0.08823529 1.0 
      0.00000000       0.00000000       0.11764706 1.0 
      0.00000000       0.00000000       0.14705882 1.0 
      0.00000000       0.00000000       0.17647059 1.0 
      0.00000000       0.00000000       0.20588235 1.0 
      0.00000000       0.00000000       0.23529412 1.0 
      0.00000000       0.00000000       0.26470588 1.0 
      0.00000000       0.00000000       0.29411765 1.0 
      0.00000000       0.00000000       0.32352941 1.0 
      0.00000000       0.00000000       0.35294118 1.0 
      0.00000000       0.00000000       0.38235294 1.0 
      0.00000000       0.00000000       0.41176471 1.0 
      0.00000000       0.00000000       0.44117647 1.0 
      0.00000000       0.00000000       0.47058824 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02021640       0.50135422 1.0 
      0.00000000       0.04043280       0.50270843 1.0 
      0.00000000       0.06064919       0.50406265 1.0 
      0.00000000       0.08086559       0.50541687 1.0 
      0.00000000       0.10108199       0.50677109 1.0 
      0.00000000       0.12129839       0.50812530 1.0 
      0.00000000       0.14151478       0.50947952 1.0 
      0.00000000       0.16173118       0.51083374 1.0 
      0.00000000       0.18194758       0.51218795 1.0 
      0.00000000       0.20216398       0.51354217 1.0 
      0.00000000       0.22238037       0.51489639 1.0 
      0.00000000       0.24259677       0.51625060 1.0 
      0.00000000       0.26281317       0.51760482 1.0 
      0.00000000       0.28302957       0.51895904 1.0 
      0.00000000       0.30324596       0.52031326 1.0 
      0.00000000       0.32346236       0.52166747 1.0 
      0.00000000       0.34367876       0.52302169 1.0 
      0.00000000       0.36389516       0.52437591 1.0 
      0.00000000       0.38411155       0.52573012 1.0 
      0.00000000       0.40432795       0.52708434 1.0 
      0.00000000       0.42454435       0.52843856 1.0 
      0.00000000       0.44476075       0.52979278 1.0 
      0.00000000       0.46497714       0.53114699 1.0 
      0.00000000       0.48519354       0.53250121 1.0 
      0.00000000       0.48519354       0.53250121 1.0 
      0.00000000       0.49259677       0.51625060 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02173913       0.50000000       0.50000000 1.0 
      0.04347826       0.50000000       0.50000000 1.0 
      0.06521739       0.50000000       0.50000000 1.0 
      0.08695652       0.50000000       0.50000000 1.0 
      0.10869565       0.50000000       0.50000000 1.0 
      0.13043478       0.50000000       0.50000000 1.0 
      0.15217391       0.50000000       0.50000000 1.0 
      0.17391304       0.50000000       0.50000000 1.0 
      0.19565217       0.50000000       0.50000000 1.0 
      0.21739130       0.50000000       0.50000000 1.0 
      0.23913043       0.50000000       0.50000000 1.0 
      0.26086957       0.50000000       0.50000000 1.0 
      0.28260870       0.50000000       0.50000000 1.0 
      0.30434783       0.50000000       0.50000000 1.0 
      0.32608696       0.50000000       0.50000000 1.0 
      0.34782609       0.50000000       0.50000000 1.0 
      0.36956522       0.50000000       0.50000000 1.0 
      0.39130435       0.50000000       0.50000000 1.0 
      0.41304348       0.50000000       0.50000000 1.0 
      0.43478261       0.50000000       0.50000000 1.0 
      0.45652174       0.50000000       0.50000000 1.0 
      0.47826087       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50740323       0.48374940 1.0 
      0.50000000       0.51480646       0.46749879 1.0 
      0.50000000       0.51480646       0.46749879 1.0 
      0.50000000       0.51388106       0.43828012 1.0 
      0.50000000       0.51295565       0.40906144 1.0 
      0.50000000       0.51203025       0.37984277 1.0 
      0.50000000       0.51110484       0.35062409 1.0 
      0.50000000       0.51017944       0.32140542 1.0 
      0.50000000       0.50925404       0.29218674 1.0 
      0.50000000       0.50832863       0.26296807 1.0 
      0.50000000       0.50740323       0.23374940 1.0 
      0.50000000       0.50647783       0.20453072 1.0 
      0.50000000       0.50555242       0.17531205 1.0 
      0.50000000       0.50462702       0.14609337 1.0 
      0.50000000       0.50370161       0.11687470 1.0 
      0.50000000       0.50277621       0.08765602 1.0 
      0.50000000       0.50185081       0.05843735 1.0 
      0.50000000       0.50092540       0.02921867 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47826087       0.50000000       0.00000000 1.0 
      0.45652174       0.50000000       0.00000000 1.0 
      0.43478261       0.50000000       0.00000000 1.0 
      0.41304348       0.50000000       0.00000000 1.0 
      0.39130435       0.50000000       0.00000000 1.0 
      0.36956522       0.50000000       0.00000000 1.0 
      0.34782609       0.50000000       0.00000000 1.0 
      0.32608696       0.50000000       0.00000000 1.0 
      0.30434783       0.50000000       0.00000000 1.0 
      0.28260870       0.50000000       0.00000000 1.0 
      0.26086957       0.50000000       0.00000000 1.0 
      0.23913043       0.50000000       0.00000000 1.0 
      0.21739130       0.50000000       0.00000000 1.0 
      0.19565217       0.50000000       0.00000000 1.0 
      0.17391304       0.50000000       0.00000000 1.0 
      0.15217391       0.50000000       0.00000000 1.0 
      0.13043478       0.50000000       0.00000000 1.0 
      0.10869565       0.50000000       0.00000000 1.0 
      0.08695652       0.50000000       0.00000000 1.0 
      0.06521739       0.50000000       0.00000000 1.0 
      0.04347826       0.50000000       0.00000000 1.0 
      0.02173913       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50092540       0.02921867 1.0 
      0.00000000       0.50185081       0.05843735 1.0 
      0.00000000       0.50277621       0.08765602 1.0 
      0.00000000       0.50370161       0.11687470 1.0 
      0.00000000       0.50462702       0.14609337 1.0 
      0.00000000       0.50555242       0.17531205 1.0 
      0.00000000       0.50647783       0.20453072 1.0 
      0.00000000       0.50740323       0.23374940 1.0 
      0.00000000       0.50832863       0.26296807 1.0 
      0.00000000       0.50925404       0.29218674 1.0 
      0.00000000       0.51017944       0.32140542 1.0 
      0.00000000       0.51110484       0.35062409 1.0 
      0.00000000       0.51203025       0.37984277 1.0 
      0.00000000       0.51295565       0.40906144 1.0 
      0.00000000       0.51388106       0.43828012 1.0 
      0.00000000       0.51480646       0.46749879 1.0 
      0.50000000       0.48519354       0.53250121 1.0 
      0.50000000       0.46497714       0.53114699 1.0 
      0.50000000       0.44476075       0.52979278 1.0 
      0.50000000       0.42454435       0.52843856 1.0 
      0.50000000       0.40432795       0.52708434 1.0 
      0.50000000       0.38411155       0.52573012 1.0 
      0.50000000       0.36389516       0.52437591 1.0 
      0.50000000       0.34367876       0.52302169 1.0 
      0.50000000       0.32346236       0.52166747 1.0 
      0.50000000       0.30324596       0.52031326 1.0 
      0.50000000       0.28302957       0.51895904 1.0 
      0.50000000       0.26281317       0.51760482 1.0 
      0.50000000       0.24259677       0.51625060 1.0 
      0.50000000       0.22238037       0.51489639 1.0 
      0.50000000       0.20216398       0.51354217 1.0 
      0.50000000       0.18194758       0.51218795 1.0 
      0.50000000       0.16173118       0.51083374 1.0 
      0.50000000       0.14151478       0.50947952 1.0 
      0.50000000       0.12129839       0.50812530 1.0 
      0.50000000       0.10108199       0.50677109 1.0 
      0.50000000       0.08086559       0.50541687 1.0 
      0.50000000       0.06064919       0.50406265 1.0 
      0.50000000       0.04043280       0.50270843 1.0 
      0.50000000       0.02021640       0.50135422 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47058824 1.0 
      0.50000000       0.00000000       0.44117647 1.0 
      0.50000000       0.00000000       0.41176471 1.0 
      0.50000000       0.00000000       0.38235294 1.0 
      0.50000000       0.00000000       0.35294118 1.0 
      0.50000000       0.00000000       0.32352941 1.0 
      0.50000000       0.00000000       0.29411765 1.0 
      0.50000000       0.00000000       0.26470588 1.0 
      0.50000000       0.00000000       0.23529412 1.0 
      0.50000000       0.00000000       0.20588235 1.0 
      0.50000000       0.00000000       0.17647059 1.0 
      0.50000000       0.00000000       0.14705882 1.0 
      0.50000000       0.00000000       0.11764706 1.0 
      0.50000000       0.00000000       0.08823529 1.0 
      0.50000000       0.00000000       0.05882353 1.0 
      0.50000000       0.00000000       0.02941176 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02173913       0.00000000       0.50000000 1.0 
      0.04347826       0.00000000       0.50000000 1.0 
      0.06521739       0.00000000       0.50000000 1.0 
      0.08695652       0.00000000       0.50000000 1.0 
      0.10869565       0.00000000       0.50000000 1.0 
      0.13043478       0.00000000       0.50000000 1.0 
      0.15217391       0.00000000       0.50000000 1.0 
      0.17391304       0.00000000       0.50000000 1.0 
      0.19565217       0.00000000       0.50000000 1.0 
      0.21739130       0.00000000       0.50000000 1.0 
      0.23913043       0.00000000       0.50000000 1.0 
      0.26086957       0.00000000       0.50000000 1.0 
      0.28260870       0.00000000       0.50000000 1.0 
      0.30434783       0.00000000       0.50000000 1.0 
      0.32608696       0.00000000       0.50000000 1.0 
      0.34782609       0.00000000       0.50000000 1.0 
      0.36956522       0.00000000       0.50000000 1.0 
      0.39130435       0.00000000       0.50000000 1.0 
      0.41304348       0.00000000       0.50000000 1.0 
      0.43478261       0.00000000       0.50000000 1.0 
      0.45652174       0.00000000       0.50000000 1.0 
      0.47826087       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

