! Pwscf input file created with ciftopw.py 
! Compound: InH4NCl4
&control
         calculation     = 'bands'
         prefix          = 'InH4NCl4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.5256687183559556
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.7159968707745257
         celldm(5)       =           -0.7159968707745257
         celldm(6)       =            0.4319937415490512
         nat             =       20
         ntyp            =        4
         ecutwfc         =       46.00000000
         ecutrho         =      321.00000000
         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
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
219
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01562500 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.04687500 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.07812500 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.10937500 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.14062500 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.17187500 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.20312500 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.23437500 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.26562500 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.29687500 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.32812500 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.35937500 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.39062500 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.42187500 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.45312500 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.48437500 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01416622       0.01416622       0.50000000 1.0 
     -0.02833244       0.02833244       0.50000000 1.0 
     -0.04249866       0.04249866       0.50000000 1.0 
     -0.05666488       0.05666488       0.50000000 1.0 
     -0.07083110       0.07083110       0.50000000 1.0 
     -0.08499732       0.08499732       0.50000000 1.0 
     -0.09916354       0.09916354       0.50000000 1.0 
     -0.09916354       0.09916354       0.50000000 1.0 
     -0.10971187       0.10971187       0.48945167 1.0 
     -0.12026019       0.12026019       0.47890334 1.0 
     -0.13080852       0.13080852       0.46835502 1.0 
     -0.14135685       0.14135685       0.45780669 1.0 
     -0.15190518       0.15190518       0.44725836 1.0 
     -0.16245350       0.16245350       0.43671003 1.0 
     -0.17300183       0.17300183       0.42616170 1.0 
     -0.18355016       0.18355016       0.41561338 1.0 
     -0.19409849       0.19409849       0.40506505 1.0 
     -0.20464682       0.20464682       0.39451672 1.0 
     -0.21519514       0.21519514       0.38396839 1.0 
     -0.22574347       0.22574347       0.37342006 1.0 
     -0.23629180       0.23629180       0.36287174 1.0 
     -0.24684013       0.24684013       0.35232341 1.0 
     -0.25738846       0.25738846       0.34177508 1.0 
     -0.26793678       0.26793678       0.33122675 1.0 
     -0.27848511       0.27848511       0.32067842 1.0 
     -0.28903344       0.28903344       0.31013010 1.0 
     -0.29958177       0.29958177       0.29958177 1.0 
     -0.29958177       0.29958177       0.29958177 1.0 
     -0.28848615       0.28848615       0.28848615 1.0 
     -0.27739053       0.27739053       0.27739053 1.0 
     -0.26629491       0.26629491       0.26629491 1.0 
     -0.25519928       0.25519928       0.25519928 1.0 
     -0.24410366       0.24410366       0.24410366 1.0 
     -0.23300804       0.23300804       0.23300804 1.0 
     -0.22191242       0.22191242       0.22191242 1.0 
     -0.21081680       0.21081680       0.21081680 1.0 
     -0.19972118       0.19972118       0.19972118 1.0 
     -0.18862556       0.18862556       0.18862556 1.0 
     -0.17752994       0.17752994       0.17752994 1.0 
     -0.16643432       0.16643432       0.16643432 1.0 
     -0.15533869       0.15533869       0.15533869 1.0 
     -0.14424307       0.14424307       0.14424307 1.0 
     -0.13314745       0.13314745       0.13314745 1.0 
     -0.12205183       0.12205183       0.12205183 1.0 
     -0.11095621       0.11095621       0.11095621 1.0 
     -0.09986059       0.09986059       0.09986059 1.0 
     -0.08876497       0.08876497       0.08876497 1.0 
     -0.07766935       0.07766935       0.07766935 1.0 
     -0.06657373       0.06657373       0.06657373 1.0 
     -0.05547811       0.05547811       0.05547811 1.0 
     -0.04438248       0.04438248       0.04438248 1.0 
     -0.03328686       0.03328686       0.03328686 1.0 
     -0.02219124       0.02219124       0.02219124 1.0 
     -0.01109562       0.01109562       0.01109562 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02380952       0.02380952      -0.02380952 1.0 
      0.04761905       0.04761905      -0.04761905 1.0 
      0.07142857       0.07142857      -0.07142857 1.0 
      0.09523810       0.09523810      -0.09523810 1.0 
      0.11904762       0.11904762      -0.11904762 1.0 
      0.14285714       0.14285714      -0.14285714 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.19047619       0.19047619      -0.19047619 1.0 
      0.21428571       0.21428571      -0.21428571 1.0 
      0.23809524       0.23809524      -0.23809524 1.0 
      0.26190476       0.26190476      -0.26190476 1.0 
      0.28571429       0.28571429      -0.28571429 1.0 
      0.30952381       0.30952381      -0.30952381 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.35714286       0.35714286      -0.35714286 1.0 
      0.38095238       0.38095238      -0.38095238 1.0 
      0.40476190       0.40476190      -0.40476190 1.0 
      0.42857143       0.42857143      -0.42857143 1.0 
      0.45238095       0.45238095      -0.45238095 1.0 
      0.47619048       0.47619048      -0.47619048 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48945167       0.51054833      -0.48945167 1.0 
      0.47890334       0.52109666      -0.47890334 1.0 
      0.46835502       0.53164498      -0.46835502 1.0 
      0.45780669       0.54219331      -0.45780669 1.0 
      0.44725836       0.55274164      -0.44725836 1.0 
      0.43671003       0.56328997      -0.43671003 1.0 
      0.42616170       0.57383830      -0.42616170 1.0 
      0.41561338       0.58438662      -0.41561338 1.0 
      0.40506505       0.59493495      -0.40506505 1.0 
      0.39451672       0.60548328      -0.39451672 1.0 
      0.38396839       0.61603161      -0.38396839 1.0 
      0.37342006       0.62657994      -0.37342006 1.0 
      0.36287174       0.63712826      -0.36287174 1.0 
      0.35232341       0.64767659      -0.35232341 1.0 
      0.34177508       0.65822492      -0.34177508 1.0 
      0.33122675       0.66877325      -0.33122675 1.0 
      0.32067842       0.67932158      -0.32067842 1.0 
      0.31013010       0.68986990      -0.31013010 1.0 
      0.29958177       0.70041823      -0.29958177 1.0 
      0.29958177       0.70041823      -0.29958177 1.0 
      0.27234706       0.68219839      -0.27234706 1.0 
      0.24511236       0.66397855      -0.24511236 1.0 
      0.21787765       0.64575871      -0.21787765 1.0 
      0.19064294       0.62753887      -0.19064294 1.0 
      0.16340824       0.60931904      -0.16340824 1.0 
      0.13617353       0.59109920      -0.13617353 1.0 
      0.10893882       0.57287936      -0.10893882 1.0 
      0.08170412       0.55465952      -0.08170412 1.0 
      0.05446941       0.53643968      -0.05446941 1.0 
      0.02723471       0.51821984      -0.02723471 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.01086957       0.48913043       0.01086957 1.0 
      0.02173913       0.47826087       0.02173913 1.0 
      0.03260870       0.46739130       0.03260870 1.0 
      0.04347826       0.45652174       0.04347826 1.0 
      0.05434783       0.44565217       0.05434783 1.0 
      0.06521739       0.43478261       0.06521739 1.0 
      0.07608696       0.42391304       0.07608696 1.0 
      0.08695652       0.41304348       0.08695652 1.0 
      0.09782609       0.40217391       0.09782609 1.0 
      0.10869565       0.39130435       0.10869565 1.0 
      0.11956522       0.38043478       0.11956522 1.0 
      0.13043478       0.36956522       0.13043478 1.0 
      0.14130435       0.35869565       0.14130435 1.0 
      0.15217391       0.34782609       0.15217391 1.0 
      0.16304348       0.33695652       0.16304348 1.0 
      0.17391304       0.32608696       0.17391304 1.0 
      0.18478261       0.31521739       0.18478261 1.0 
      0.19565217       0.30434783       0.19565217 1.0 
      0.20652174       0.29347826       0.20652174 1.0 
      0.21739130       0.28260870       0.21739130 1.0 
      0.22826087       0.27173913       0.22826087 1.0 
      0.23913043       0.26086957       0.23913043 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.27083333       0.27083333       0.22090304 1.0 
      0.29166667       0.29166667       0.19180608 1.0 
      0.31250000       0.31250000       0.16270912 1.0 
      0.33333333       0.33333333       0.13361215 1.0 
      0.35416667       0.35416667       0.10451519 1.0 
      0.37500000       0.37500000       0.07541823 1.0 
      0.39583333       0.39583333       0.04632127 1.0 
      0.41666667       0.41666667       0.01722431 1.0 
      0.43750000       0.43750000      -0.01187265 1.0 
      0.45833333       0.45833333      -0.04096961 1.0 
      0.47916667       0.47916667      -0.07006658 1.0 
      0.50000000       0.50000000      -0.09916354 1.0 
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      0.50000000       0.50000000      -0.20708105 1.0 
      0.50000000       0.50000000      -0.22249783 1.0 
      0.50000000       0.50000000      -0.23791462 1.0 
      0.50000000       0.50000000      -0.25333141 1.0 
      0.50000000       0.50000000      -0.26874819 1.0 
      0.50000000       0.50000000      -0.28416498 1.0 
      0.50000000       0.50000000      -0.29958177 1.0 
      0.50000000       0.50000000      -0.31499856 1.0 
      0.50000000       0.50000000      -0.33041534 1.0 
      0.50000000       0.50000000      -0.34583213 1.0 
      0.50000000       0.50000000      -0.36124892 1.0 
      0.50000000       0.50000000      -0.37666570 1.0 
      0.50000000       0.50000000      -0.39208249 1.0 
      0.50000000       0.50000000      -0.40749928 1.0 
      0.50000000       0.50000000      -0.42291606 1.0 
      0.50000000       0.50000000      -0.43833285 1.0 
      0.50000000       0.50000000      -0.45374964 1.0 
      0.50000000       0.50000000      -0.46916643 1.0 
      0.50000000       0.50000000      -0.48458321 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02272727       0.02272727       0.47727273 1.0 
      0.04545455       0.04545455       0.45454545 1.0 
      0.06818182       0.06818182       0.43181818 1.0 
      0.09090909       0.09090909       0.40909091 1.0 
      0.11363636       0.11363636       0.38636364 1.0 
      0.13636364       0.13636364       0.36363636 1.0 
      0.15909091       0.15909091       0.34090909 1.0 
      0.18181818       0.18181818       0.31818182 1.0 
      0.20454545       0.20454545       0.29545455 1.0 
      0.22727273       0.22727273       0.27272727 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

