! Pwscf input file created with ciftopw.py 
! Compound: Li3AlH6
&control
         calculation     = 'bands'
         prefix          = 'Li3AlH6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.5819760730515284
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.0248443067430571
         celldm(5)       =           -0.0248443067430571
         celldm(6)       =           -0.0248443067430571
         nat             =       20
         ntyp            =        3
         ecutwfc         =      103.00000000
         ecutrho         =      412.00000000
         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 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
311
      0.00000000       0.00000000       0.00000000 1.0 
      0.01016415      -0.01066919       0.01016415 1.0 
      0.02032829      -0.02133838       0.02032829 1.0 
      0.03049244      -0.03200756       0.03049244 1.0 
      0.04065658      -0.04267675       0.04065658 1.0 
      0.05082073      -0.05334594       0.05082073 1.0 
      0.06098487      -0.06401513       0.06098487 1.0 
      0.07114902      -0.07468431       0.07114902 1.0 
      0.08131316      -0.08535350       0.08131316 1.0 
      0.09147731      -0.09602269       0.09147731 1.0 
      0.10164146      -0.10669188       0.10164146 1.0 
      0.11180560      -0.11736107       0.11180560 1.0 
      0.12196975      -0.12803025       0.12196975 1.0 
      0.13213389      -0.13869944       0.13213389 1.0 
      0.14229804      -0.14936863       0.14229804 1.0 
      0.15246218      -0.16003782       0.15246218 1.0 
      0.16262633      -0.17070701       0.16262633 1.0 
      0.17279047      -0.18137619       0.17279047 1.0 
      0.18295462      -0.19204538       0.18295462 1.0 
      0.19311876      -0.20271457       0.19311876 1.0 
      0.20328291      -0.21338376       0.20328291 1.0 
      0.21344706      -0.22405294       0.21344706 1.0 
      0.22361120      -0.23472213       0.22361120 1.0 
      0.23377535      -0.24539132       0.23377535 1.0 
      0.24393949      -0.25606051       0.24393949 1.0 
      0.25410364      -0.26672970       0.25410364 1.0 
      0.26426778      -0.27739888       0.26426778 1.0 
      0.27443193      -0.28806807       0.27443193 1.0 
      0.28459607      -0.29873726       0.28459607 1.0 
      0.29476022      -0.30940645       0.29476022 1.0 
      0.30492437      -0.32007563       0.30492437 1.0 
      0.31508851      -0.33074482       0.31508851 1.0 
      0.32525266      -0.34141401       0.32525266 1.0 
      0.33541680      -0.35208320       0.33541680 1.0 
      0.34558095      -0.36275239       0.34558095 1.0 
      0.35574509      -0.37342157       0.35574509 1.0 
      0.36590924      -0.38409076       0.36590924 1.0 
      0.37607338      -0.39475995       0.37607338 1.0 
      0.38623753      -0.40542914       0.38623753 1.0 
      0.39640168      -0.41609832       0.39640168 1.0 
      0.40656582      -0.42676751       0.40656582 1.0 
      0.41672997      -0.43743670       0.41672997 1.0 
      0.42689411      -0.44810589       0.42689411 1.0 
      0.43705826      -0.45877508       0.43705826 1.0 
      0.44722240      -0.46944426       0.44722240 1.0 
      0.45738655      -0.48011345       0.45738655 1.0 
      0.46755069      -0.49078264       0.46755069 1.0 
      0.47771484      -0.50145183       0.47771484 1.0 
      0.48787898      -0.51212102       0.48787898 1.0 
      0.48787898      -0.51212102       0.48787898 1.0 
      0.49393949      -0.50606051       0.49393949 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.49955924      -0.48225895       0.49955924 1.0 
      0.49911847      -0.46451789       0.49911847 1.0 
      0.49867771      -0.44677684       0.49867771 1.0 
      0.49823694      -0.42903578       0.49823694 1.0 
      0.49779618      -0.41129473       0.49779618 1.0 
      0.49735541      -0.39355368       0.49735541 1.0 
      0.49691465      -0.37581262       0.49691465 1.0 
      0.49647389      -0.35807157       0.49647389 1.0 
      0.49603312      -0.34033051       0.49603312 1.0 
      0.49559236      -0.32258946       0.49559236 1.0 
      0.49515159      -0.30484841       0.49515159 1.0 
      0.49471083      -0.28710735       0.49471083 1.0 
      0.49427007      -0.26936630       0.49427007 1.0 
      0.49382930      -0.25162524       0.49382930 1.0 
      0.49338854      -0.23388419       0.49338854 1.0 
      0.49294777      -0.21614314       0.49294777 1.0 
      0.49250701      -0.19840208       0.49250701 1.0 
      0.49206624      -0.18066103       0.49206624 1.0 
      0.49162548      -0.16291997       0.49162548 1.0 
      0.49118472      -0.14517892       0.49118472 1.0 
      0.49074395      -0.12743787       0.49074395 1.0 
      0.49030319      -0.10969681       0.49030319 1.0 
      0.48986242      -0.09195576       0.48986242 1.0 
      0.48942166      -0.07421470       0.48942166 1.0 
      0.48898090      -0.05647365       0.48898090 1.0 
      0.48854013      -0.03873260       0.48854013 1.0 
      0.48809937      -0.02099154       0.48809937 1.0 
      0.48765860      -0.00325049       0.48765860 1.0 
      0.48721784       0.01449057       0.48721784 1.0 
      0.48677707       0.03223162       0.48677707 1.0 
      0.48633631       0.04997267       0.48633631 1.0 
      0.48589555       0.06771373       0.48589555 1.0 
      0.48545478       0.08545478       0.48545478 1.0 
      0.48501402       0.10319584       0.48501402 1.0 
      0.48457325       0.12093689       0.48457325 1.0 
      0.48413249       0.13867794       0.48413249 1.0 
      0.48369173       0.15641900       0.48369173 1.0 
      0.48325096       0.17416005       0.48325096 1.0 
      0.48281020       0.19190111       0.48281020 1.0 
      0.48236943       0.20964216       0.48236943 1.0 
      0.48192867       0.22738321       0.48192867 1.0 
      0.48148790       0.24512427       0.48148790 1.0 
      0.48104714       0.26286532       0.48104714 1.0 
      0.48060638       0.28060638       0.48060638 1.0 
      0.48016561       0.29834743       0.48016561 1.0 
      0.47972485       0.31608848       0.47972485 1.0 
      0.47928408       0.33382954       0.47928408 1.0 
      0.47884332       0.35157059       0.47884332 1.0 
      0.47840255       0.36931165       0.47840255 1.0 
      0.47796179       0.38705270       0.47796179 1.0 
      0.47752103       0.40479375       0.47752103 1.0 
      0.47708026       0.42253481       0.47708026 1.0 
      0.47663950       0.44027586       0.47663950 1.0 
      0.47619873       0.45801692       0.47619873 1.0 
      0.47575797       0.47575797       0.47575797 1.0 
      0.47575797       0.47575797       0.47575797 1.0 
      0.46584635       0.46584635       0.46584635 1.0 
      0.45593472       0.45593472       0.45593472 1.0 
      0.44602310       0.44602310       0.44602310 1.0 
      0.43611147       0.43611147       0.43611147 1.0 
      0.42619985       0.42619985       0.42619985 1.0 
      0.41628822       0.41628822       0.41628822 1.0 
      0.40637660       0.40637660       0.40637660 1.0 
      0.39646497       0.39646497       0.39646497 1.0 
      0.38655335       0.38655335       0.38655335 1.0 
      0.37664173       0.37664173       0.37664173 1.0 
      0.36673010       0.36673010       0.36673010 1.0 
      0.35681848       0.35681848       0.35681848 1.0 
      0.34690685       0.34690685       0.34690685 1.0 
      0.33699523       0.33699523       0.33699523 1.0 
      0.32708360       0.32708360       0.32708360 1.0 
      0.31717198       0.31717198       0.31717198 1.0 
      0.30726036       0.30726036       0.30726036 1.0 
      0.29734873       0.29734873       0.29734873 1.0 
      0.28743711       0.28743711       0.28743711 1.0 
      0.27752548       0.27752548       0.27752548 1.0 
      0.26761386       0.26761386       0.26761386 1.0 
      0.25770223       0.25770223       0.25770223 1.0 
      0.24779061       0.24779061       0.24779061 1.0 
      0.23787898       0.23787898       0.23787898 1.0 
      0.22796736       0.22796736       0.22796736 1.0 
      0.21805574       0.21805574       0.21805574 1.0 
      0.20814411       0.20814411       0.20814411 1.0 
      0.19823249       0.19823249       0.19823249 1.0 
      0.18832086       0.18832086       0.18832086 1.0 
      0.17840924       0.17840924       0.17840924 1.0 
      0.16849761       0.16849761       0.16849761 1.0 
      0.15858599       0.15858599       0.15858599 1.0 
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      0.12885112       0.12885112       0.12885112 1.0 
      0.11893949       0.11893949       0.11893949 1.0 
      0.10902787       0.10902787       0.10902787 1.0 
      0.09911624       0.09911624       0.09911624 1.0 
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      0.07929299       0.07929299       0.07929299 1.0 
      0.06938137       0.06938137       0.06938137 1.0 
      0.05946975       0.05946975       0.05946975 1.0 
      0.04955812       0.04955812       0.04955812 1.0 
      0.03964650       0.03964650       0.03964650 1.0 
      0.02973487       0.02973487       0.02973487 1.0 
      0.01982325       0.01982325       0.01982325 1.0 
      0.00991162       0.00991162       0.00991162 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.01250000      -0.01250000       0.00000000 1.0 
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      0.03750000      -0.03750000       0.00000000 1.0 
      0.05000000      -0.05000000       0.00000000 1.0 
      0.06250000      -0.06250000       0.00000000 1.0 
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      0.10000000      -0.10000000       0.00000000 1.0 
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      0.12500000      -0.12500000       0.00000000 1.0 
      0.13750000      -0.13750000       0.00000000 1.0 
      0.15000000      -0.15000000       0.00000000 1.0 
      0.16250000      -0.16250000       0.00000000 1.0 
      0.17500000      -0.17500000       0.00000000 1.0 
      0.18750000      -0.18750000       0.00000000 1.0 
      0.20000000      -0.20000000       0.00000000 1.0 
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      0.22500000      -0.22500000       0.00000000 1.0 
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      0.25000000      -0.25000000       0.00000000 1.0 
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      0.27500000      -0.27500000       0.00000000 1.0 
      0.28750000      -0.28750000       0.00000000 1.0 
      0.30000000      -0.30000000       0.00000000 1.0 
      0.31250000      -0.31250000       0.00000000 1.0 
      0.32500000      -0.32500000       0.00000000 1.0 
      0.33750000      -0.33750000       0.00000000 1.0 
      0.35000000      -0.35000000       0.00000000 1.0 
      0.36250000      -0.36250000       0.00000000 1.0 
      0.37500000      -0.37500000       0.00000000 1.0 
      0.38750000      -0.38750000       0.00000000 1.0 
      0.40000000      -0.40000000       0.00000000 1.0 
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      0.43750000      -0.43750000       0.00000000 1.0 
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      0.47500000      -0.47500000       0.00000000 1.0 
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      0.50000000      -0.50000000       0.00000000 1.0 
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      0.50043289      -0.49956711      -0.01742425 1.0 
      0.50086579      -0.49913421      -0.03484850 1.0 
      0.50129868      -0.49870132      -0.05227275 1.0 
      0.50173157      -0.49826843      -0.06969700 1.0 
      0.50216447      -0.49783553      -0.08712125 1.0 
      0.50259736      -0.49740264      -0.10454550 1.0 
      0.50303025      -0.49696975      -0.12196975 1.0 
      0.50346315      -0.49653685      -0.13939400 1.0 
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      0.50476183      -0.49523817      -0.19166674 1.0 
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      0.50952365      -0.49047635      -0.38333349 1.0 
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      0.50000000      -0.27500000       0.27500000 1.0 
      0.50000000      -0.28750000       0.28750000 1.0 
      0.50000000      -0.30000000       0.30000000 1.0 
      0.50000000      -0.31250000       0.31250000 1.0 
      0.50000000      -0.32500000       0.32500000 1.0 
      0.50000000      -0.33750000       0.33750000 1.0 
      0.50000000      -0.35000000       0.35000000 1.0 
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      0.50000000      -0.38750000       0.38750000 1.0 
      0.50000000      -0.40000000       0.40000000 1.0 
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      0.50000000      -0.42500000       0.42500000 1.0 
      0.50000000      -0.43750000       0.43750000 1.0 
      0.50000000      -0.45000000       0.45000000 1.0 
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      0.50000000      -0.47500000       0.47500000 1.0 
      0.50000000      -0.48750000       0.48750000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 

