! Pwscf input file created with ciftopw.py 
! Compound: SrZnCl4
&control
         calculation     = 'bands'
         prefix          = 'SrZnCl4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.1209502658216515
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.7093653001427013
         celldm(5)       =           -0.7093653001427013
         celldm(6)       =            0.4187306002854021
         nat             =       12
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      276.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Zn  65.4090 Zn.rel-pbe-dn-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
234
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01428571 1.0 
      0.00000000       0.00000000       0.02857143 1.0 
      0.00000000       0.00000000       0.04285714 1.0 
      0.00000000       0.00000000       0.05714286 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
      0.00000000       0.00000000       0.08571429 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.11428571 1.0 
      0.00000000       0.00000000       0.12857143 1.0 
      0.00000000       0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.15714286 1.0 
      0.00000000       0.00000000       0.17142857 1.0 
      0.00000000       0.00000000       0.18571429 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.22857143 1.0 
      0.00000000       0.00000000       0.24285714 1.0 
      0.00000000       0.00000000       0.25714286 1.0 
      0.00000000       0.00000000       0.27142857 1.0 
      0.00000000       0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.31428571 1.0 
      0.00000000       0.00000000       0.32857143 1.0 
      0.00000000       0.00000000       0.34285714 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.37142857 1.0 
      0.00000000       0.00000000       0.38571429 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.41428571 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.44285714 1.0 
      0.00000000       0.00000000       0.45714286 1.0 
      0.00000000       0.00000000       0.47142857 1.0 
      0.00000000       0.00000000       0.48571429 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01463253       0.01463253       0.50000000 1.0 
     -0.02926506       0.02926506       0.50000000 1.0 
     -0.04389760       0.04389760       0.50000000 1.0 
     -0.05853013       0.05853013       0.50000000 1.0 
     -0.07316266       0.07316266       0.50000000 1.0 
     -0.08779519       0.08779519       0.50000000 1.0 
     -0.10242773       0.10242773       0.50000000 1.0 
     -0.10242773       0.10242773       0.50000000 1.0 
     -0.11236703       0.11236703       0.49006069 1.0 
     -0.12230634       0.12230634       0.48012139 1.0 
     -0.13224565       0.13224565       0.47018208 1.0 
     -0.14218495       0.14218495       0.46024277 1.0 
     -0.15212426       0.15212426       0.45030347 1.0 
     -0.16206357       0.16206357       0.44036416 1.0 
     -0.17200287       0.17200287       0.43042485 1.0 
     -0.18194218       0.18194218       0.42048555 1.0 
     -0.19188149       0.19188149       0.41054624 1.0 
     -0.20182079       0.20182079       0.40060693 1.0 
     -0.21176010       0.21176010       0.39066762 1.0 
     -0.22169941       0.22169941       0.38072832 1.0 
     -0.23163872       0.23163872       0.37078901 1.0 
     -0.24157802       0.24157802       0.36084970 1.0 
     -0.25151733       0.25151733       0.35091040 1.0 
     -0.26145664       0.26145664       0.34097109 1.0 
     -0.27139594       0.27139594       0.33103178 1.0 
     -0.28133525       0.28133525       0.32109248 1.0 
     -0.29127456       0.29127456       0.31115317 1.0 
     -0.30121386       0.30121386       0.30121386 1.0 
     -0.30121386       0.30121386       0.30121386 1.0 
     -0.29117340       0.29117340       0.29117340 1.0 
     -0.28113294       0.28113294       0.28113294 1.0 
     -0.27109248       0.27109248       0.27109248 1.0 
     -0.26105201       0.26105201       0.26105201 1.0 
     -0.25101155       0.25101155       0.25101155 1.0 
     -0.24097109       0.24097109       0.24097109 1.0 
     -0.23093063       0.23093063       0.23093063 1.0 
     -0.22089017       0.22089017       0.22089017 1.0 
     -0.21084970       0.21084970       0.21084970 1.0 
     -0.20080924       0.20080924       0.20080924 1.0 
     -0.19076878       0.19076878       0.19076878 1.0 
     -0.18072832       0.18072832       0.18072832 1.0 
     -0.17068786       0.17068786       0.17068786 1.0 
     -0.16064739       0.16064739       0.16064739 1.0 
     -0.15060693       0.15060693       0.15060693 1.0 
     -0.14056647       0.14056647       0.14056647 1.0 
     -0.13052601       0.13052601       0.13052601 1.0 
     -0.12048555       0.12048555       0.12048555 1.0 
     -0.11044508       0.11044508       0.11044508 1.0 
     -0.10040462       0.10040462       0.10040462 1.0 
     -0.09036416       0.09036416       0.09036416 1.0 
     -0.08032370       0.08032370       0.08032370 1.0 
     -0.07028323       0.07028323       0.07028323 1.0 
     -0.06024277       0.06024277       0.06024277 1.0 
     -0.05020231       0.05020231       0.05020231 1.0 
     -0.04016185       0.04016185       0.04016185 1.0 
     -0.03012139       0.03012139       0.03012139 1.0 
     -0.02008092       0.02008092       0.02008092 1.0 
     -0.01004046       0.01004046       0.01004046 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02272727       0.02272727      -0.02272727 1.0 
      0.04545455       0.04545455      -0.04545455 1.0 
      0.06818182       0.06818182      -0.06818182 1.0 
      0.09090909       0.09090909      -0.09090909 1.0 
      0.11363636       0.11363636      -0.11363636 1.0 
      0.13636364       0.13636364      -0.13636364 1.0 
      0.15909091       0.15909091      -0.15909091 1.0 
      0.18181818       0.18181818      -0.18181818 1.0 
      0.20454545       0.20454545      -0.20454545 1.0 
      0.22727273       0.22727273      -0.22727273 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.27272727       0.27272727      -0.27272727 1.0 
      0.29545455       0.29545455      -0.29545455 1.0 
      0.31818182       0.31818182      -0.31818182 1.0 
      0.34090909       0.34090909      -0.34090909 1.0 
      0.36363636       0.36363636      -0.36363636 1.0 
      0.38636364       0.38636364      -0.38636364 1.0 
      0.40909091       0.40909091      -0.40909091 1.0 
      0.43181818       0.43181818      -0.43181818 1.0 
      0.45454545       0.45454545      -0.45454545 1.0 
      0.47727273       0.47727273      -0.47727273 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49006069       0.50993931      -0.49006069 1.0 
      0.48012139       0.51987861      -0.48012139 1.0 
      0.47018208       0.52981792      -0.47018208 1.0 
      0.46024277       0.53975723      -0.46024277 1.0 
      0.45030347       0.54969653      -0.45030347 1.0 
      0.44036416       0.55963584      -0.44036416 1.0 
      0.43042485       0.56957515      -0.43042485 1.0 
      0.42048555       0.57951445      -0.42048555 1.0 
      0.41054624       0.58945376      -0.41054624 1.0 
      0.40060693       0.59939307      -0.40060693 1.0 
      0.39066762       0.60933238      -0.39066762 1.0 
      0.38072832       0.61927168      -0.38072832 1.0 
      0.37078901       0.62921099      -0.37078901 1.0 
      0.36084970       0.63915030      -0.36084970 1.0 
      0.35091040       0.64908960      -0.35091040 1.0 
      0.34097109       0.65902891      -0.34097109 1.0 
      0.33103178       0.66896822      -0.33103178 1.0 
      0.32109248       0.67890752      -0.32109248 1.0 
      0.31115317       0.68884683      -0.31115317 1.0 
      0.30121386       0.69878614      -0.30121386 1.0 
      0.30121386       0.69878614      -0.30121386 1.0 
      0.27611271       0.68222063      -0.27611271 1.0 
      0.25101155       0.66565511      -0.25101155 1.0 
      0.22591040       0.64908960      -0.22591040 1.0 
      0.20080924       0.63252409      -0.20080924 1.0 
      0.17570809       0.61595858      -0.17570809 1.0 
      0.15060693       0.59939307      -0.15060693 1.0 
      0.12550578       0.58282756      -0.12550578 1.0 
      0.10040462       0.56626205      -0.10040462 1.0 
      0.07530347       0.54969653      -0.07530347 1.0 
      0.05020231       0.53313102      -0.05020231 1.0 
      0.02510116       0.51656551      -0.02510116 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.01000000       0.49000000       0.01000000 1.0 
      0.02000000       0.48000000       0.02000000 1.0 
      0.03000000       0.47000000       0.03000000 1.0 
      0.04000000       0.46000000       0.04000000 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.06000000       0.44000000       0.06000000 1.0 
      0.07000000       0.43000000       0.07000000 1.0 
      0.08000000       0.42000000       0.08000000 1.0 
      0.09000000       0.41000000       0.09000000 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.11000000       0.39000000       0.11000000 1.0 
      0.12000000       0.38000000       0.12000000 1.0 
      0.13000000       0.37000000       0.13000000 1.0 
      0.14000000       0.36000000       0.14000000 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.16000000       0.34000000       0.16000000 1.0 
      0.17000000       0.33000000       0.17000000 1.0 
      0.18000000       0.32000000       0.18000000 1.0 
      0.19000000       0.31000000       0.19000000 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.21000000       0.29000000       0.21000000 1.0 
      0.22000000       0.28000000       0.22000000 1.0 
      0.23000000       0.27000000       0.23000000 1.0 
      0.24000000       0.26000000       0.24000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26923077       0.26923077       0.22289017 1.0 
      0.28846154       0.28846154       0.19578035 1.0 
      0.30769231       0.30769231       0.16867052 1.0 
      0.32692308       0.32692308       0.14156070 1.0 
      0.34615385       0.34615385       0.11445087 1.0 
      0.36538462       0.36538462       0.08734105 1.0 
      0.38461538       0.38461538       0.06023122 1.0 
      0.40384615       0.40384615       0.03312140 1.0 
      0.42307692       0.42307692       0.00601157 1.0 
      0.44230769       0.44230769      -0.02109825 1.0 
      0.46153846       0.46153846      -0.04820808 1.0 
      0.48076923       0.48076923      -0.07531790 1.0 
      0.50000000       0.50000000      -0.10242773 1.0 
      0.50000000       0.50000000      -0.10242773 1.0 
      0.50000000       0.50000000      -0.11662674 1.0 
      0.50000000       0.50000000      -0.13082575 1.0 
      0.50000000       0.50000000      -0.14502476 1.0 
      0.50000000       0.50000000      -0.15922377 1.0 
      0.50000000       0.50000000      -0.17342278 1.0 
      0.50000000       0.50000000      -0.18762179 1.0 
      0.50000000       0.50000000      -0.20182079 1.0 
      0.50000000       0.50000000      -0.21601980 1.0 
      0.50000000       0.50000000      -0.23021881 1.0 
      0.50000000       0.50000000      -0.24441782 1.0 
      0.50000000       0.50000000      -0.25861683 1.0 
      0.50000000       0.50000000      -0.27281584 1.0 
      0.50000000       0.50000000      -0.28701485 1.0 
      0.50000000       0.50000000      -0.30121386 1.0 
      0.50000000       0.50000000      -0.31541287 1.0 
      0.50000000       0.50000000      -0.32961188 1.0 
      0.50000000       0.50000000      -0.34381089 1.0 
      0.50000000       0.50000000      -0.35800990 1.0 
      0.50000000       0.50000000      -0.37220891 1.0 
      0.50000000       0.50000000      -0.38640792 1.0 
      0.50000000       0.50000000      -0.40060693 1.0 
      0.50000000       0.50000000      -0.41480594 1.0 
      0.50000000       0.50000000      -0.42900495 1.0 
      0.50000000       0.50000000      -0.44320396 1.0 
      0.50000000       0.50000000      -0.45740297 1.0 
      0.50000000       0.50000000      -0.47160198 1.0 
      0.50000000       0.50000000      -0.48580099 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 

