! Pwscf input file created with pymatgen.py 
! Compound: Li5BiO5
&control
         calculation     = 'bands'
         prefix          = 'Li5BiO5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.1978341193090287
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.1008879921662016
         celldm(4)       =            0.3080177641051171
         celldm(5)       =            0.3080177641051171
         celldm(6)       =            0.7045872164495328
         nat             =       11
         ntyp            =        3
         ecutwfc         =      103.00000000
         ecutrho         =      411.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
Bi 208.9804 Bi_MT_PBE.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
344
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.01470588       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
      0.04411765       0.04411765      -0.00000000 1.0 
      0.05882353       0.05882353       0.00000000 1.0 
      0.07352941       0.07352941       0.00000000 1.0 
      0.08823529       0.08823529      -0.00000000 1.0 
      0.10294118       0.10294118       0.00000000 1.0 
      0.11764706       0.11764706       0.00000000 1.0 
      0.13235294       0.13235294       0.00000000 1.0 
      0.14705882       0.14705882       0.00000000 1.0 
      0.16176471       0.16176471       0.00000000 1.0 
      0.17647059       0.17647059      -0.00000000 1.0 
      0.19117647       0.19117647       0.00000000 1.0 
      0.20588235       0.20588235       0.00000000 1.0 
      0.22058824       0.22058824      -0.00000000 1.0 
      0.23529412       0.23529412       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26470588       0.26470588       0.00000000 1.0 
      0.27941176       0.27941176       0.00000000 1.0 
      0.29411765       0.29411765       0.00000000 1.0 
      0.30882353       0.30882353       0.00000000 1.0 
      0.32352941       0.32352941       0.00000000 1.0 
      0.33823529       0.33823529       0.00000000 1.0 
      0.35294118       0.35294118      -0.00000000 1.0 
      0.36764706       0.36764706      -0.00000000 1.0 
      0.38235294       0.38235294       0.00000000 1.0 
      0.39705882       0.39705882       0.00000000 1.0 
      0.41176471       0.41176471       0.00000000 1.0 
      0.42647059       0.42647059       0.00000000 1.0 
      0.44117647       0.44117647      -0.00000000 1.0 
      0.45588235       0.45588235      -0.00000000 1.0 
      0.47058824       0.47058824       0.00000000 1.0 
      0.48529412       0.48529412       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50526600       0.50526600       0.01882126 1.0 
      0.51053201       0.51053201       0.03764251 1.0 
      0.51579801       0.51579801       0.05646377 1.0 
      0.52106402       0.52106402       0.07528503 1.0 
      0.52633002       0.52633002       0.09410628 1.0 
      0.53159603       0.53159603       0.11292754 1.0 
      0.53686203       0.53686203       0.13174879 1.0 
      0.54212804       0.54212804       0.15057005 1.0 
      0.54739404       0.54739404       0.16939131 1.0 
      0.55266005       0.55266005       0.18821256 1.0 
      0.55792605       0.55792605       0.20703382 1.0 
      0.56319206       0.56319206       0.22585508 1.0 
      0.56845806       0.56845806       0.24467633 1.0 
      0.57372407       0.57372407       0.26349759 1.0 
      0.57899007       0.57899007       0.28231884 1.0 
      0.58425607       0.58425607       0.30114010 1.0 
      0.58952208       0.58952208       0.31996136 1.0 
      0.59478808       0.59478808       0.33878261 1.0 
      0.59478808       0.59478808       0.33878261 1.0 
      0.58749669       0.58749669       0.35118395 1.0 
      0.58020530       0.58020530       0.36358529 1.0 
      0.57291391       0.57291391       0.37598663 1.0 
      0.56562252       0.56562252       0.38838796 1.0 
      0.55833113       0.55833113       0.40078930 1.0 
      0.55103974       0.55103974       0.41319064 1.0 
      0.54374835       0.54374835       0.42559198 1.0 
      0.53645696       0.53645696       0.43799331 1.0 
      0.52916556       0.52916556       0.45039465 1.0 
      0.52187417       0.52187417       0.46279599 1.0 
      0.51458278       0.51458278       0.47519733 1.0 
      0.50729139       0.50729139       0.48759866 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50652938       0.49347062       0.50000000 1.0 
      0.51305875       0.48694125       0.50000000 1.0 
      0.51958813       0.48041187       0.50000000 1.0 
      0.52611750       0.47388250       0.50000000 1.0 
      0.53264688       0.46735312       0.50000000 1.0 
      0.53917625       0.46082375       0.50000000 1.0 
      0.54570563       0.45429437       0.50000000 1.0 
      0.55223500       0.44776500       0.50000000 1.0 
      0.55876438       0.44123562       0.50000000 1.0 
      0.56529375       0.43470625       0.50000000 1.0 
      0.57182313       0.42817687       0.50000000 1.0 
      0.57835250       0.42164750       0.50000000 1.0 
      0.58488188       0.41511812       0.50000000 1.0 
      0.59141125       0.40858875       0.50000000 1.0 
      0.59794063       0.40205937       0.50000000 1.0 
      0.60447000       0.39553000       0.50000000 1.0 
      0.61099938       0.38900062       0.50000000 1.0 
      0.61752876       0.38247124       0.50000000 1.0 
      0.62405813       0.37594187       0.50000000 1.0 
      0.63058751       0.36941249       0.50000000 1.0 
      0.63711688       0.36288312       0.50000000 1.0 
      0.64364626       0.35635374       0.50000000 1.0 
      0.65017563       0.34982437       0.50000000 1.0 
      0.65670501       0.34329499       0.50000000 1.0 
      0.66323438       0.33676562       0.50000000 1.0 
      0.66976376       0.33023624       0.50000000 1.0 
      0.67629313       0.32370687       0.50000000 1.0 
      0.68282251       0.31717749       0.50000000 1.0 
      0.68935188       0.31064812       0.50000000 1.0 
      0.69588126       0.30411874       0.50000000 1.0 
      0.70241063       0.29758937       0.50000000 1.0 
      0.70894001       0.29105999       0.50000000 1.0 
      0.71546938       0.28453062       0.50000000 1.0 
      0.72199876       0.27800124       0.50000000 1.0 
      0.72852814       0.27147186       0.50000000 1.0 
      0.27147186      -0.27147186       0.50000000 1.0 
      0.26500825      -0.26500825       0.50000000 1.0 
      0.25854463      -0.25854463       0.50000000 1.0 
      0.25208102      -0.25208102       0.50000000 1.0 
      0.24561740      -0.24561740       0.50000000 1.0 
      0.23915379      -0.23915379       0.50000000 1.0 
      0.23269017      -0.23269017       0.50000000 1.0 
      0.22622655      -0.22622655       0.50000000 1.0 
      0.21976294      -0.21976294       0.50000000 1.0 
      0.21329932      -0.21329932       0.50000000 1.0 
      0.20683571      -0.20683571       0.50000000 1.0 
      0.20037209      -0.20037209       0.50000000 1.0 
      0.19390847      -0.19390847       0.50000000 1.0 
      0.18744486      -0.18744486       0.50000000 1.0 
      0.18098124      -0.18098124       0.50000000 1.0 
      0.17451763      -0.17451763       0.50000000 1.0 
      0.16805401      -0.16805401       0.50000000 1.0 
      0.16159040      -0.16159040       0.50000000 1.0 
      0.15512678      -0.15512678       0.50000000 1.0 
      0.14866316      -0.14866316       0.50000000 1.0 
      0.14219955      -0.14219955       0.50000000 1.0 
      0.13573593      -0.13573593       0.50000000 1.0 
      0.12927232      -0.12927232       0.50000000 1.0 
      0.12280870      -0.12280870       0.50000000 1.0 
      0.11634508      -0.11634508       0.50000000 1.0 
      0.10988147      -0.10988147       0.50000000 1.0 
      0.10341785      -0.10341785       0.50000000 1.0 
      0.09695424      -0.09695424       0.50000000 1.0 
      0.09049062      -0.09049062       0.50000000 1.0 
      0.08402701      -0.08402701       0.50000000 1.0 
      0.07756339      -0.07756339       0.50000000 1.0 
      0.07109977      -0.07109977       0.50000000 1.0 
      0.06463616      -0.06463616       0.50000000 1.0 
      0.05817254      -0.05817254       0.50000000 1.0 
      0.05170893      -0.05170893       0.50000000 1.0 
      0.04524531      -0.04524531       0.50000000 1.0 
      0.03878169      -0.03878169       0.50000000 1.0 
      0.03231808      -0.03231808       0.50000000 1.0 
      0.02585446      -0.02585446       0.50000000 1.0 
      0.01939085      -0.01939085       0.50000000 1.0 
      0.01292723      -0.01292723       0.50000000 1.0 
      0.00646362      -0.00646362       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01558507       0.01558507       0.50620067 1.0 
      0.03117015       0.03117015       0.51240134 1.0 
      0.04675522       0.04675522       0.51860201 1.0 
      0.06234029       0.06234029       0.52480267 1.0 
      0.07792537       0.07792537       0.53100334 1.0 
      0.09351044       0.09351044       0.53720401 1.0 
      0.10909552       0.10909552       0.54340468 1.0 
      0.12468059       0.12468059       0.54960535 1.0 
      0.14026566       0.14026566       0.55580602 1.0 
      0.15585074       0.15585074       0.56200669 1.0 
      0.17143581       0.17143581       0.56820736 1.0 
      0.18702088       0.18702088       0.57440802 1.0 
      0.20260596       0.20260596       0.58060869 1.0 
      0.21819103       0.21819103       0.58680936 1.0 
      0.23377611       0.23377611       0.59301003 1.0 
      0.24936118       0.24936118       0.59921070 1.0 
      0.26494625       0.26494625       0.60541137 1.0 
      0.28053133       0.28053133       0.61161204 1.0 
      0.29611640       0.29611640       0.61781271 1.0 
      0.31170147       0.31170147       0.62401337 1.0 
      0.32728655       0.32728655       0.63021404 1.0 
      0.34287162       0.34287162       0.63641471 1.0 
      0.35845670       0.35845670       0.64261538 1.0 
      0.37404177       0.37404177       0.64881605 1.0 
      0.38962684       0.38962684       0.65501672 1.0 
      0.40521192       0.40521192       0.66121739 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50649183       0.49350817       0.00000000 1.0 
      0.51298366       0.48701634       0.00000000 1.0 
      0.51947549       0.48052451       0.00000000 1.0 
      0.52596733       0.47403267       0.00000000 1.0 
      0.53245916       0.46754084       0.00000000 1.0 
      0.53895099       0.46104901       0.00000000 1.0 
      0.54544282       0.45455718       0.00000000 1.0 
      0.55193465       0.44806535       0.00000000 1.0 
      0.55842648       0.44157352       0.00000000 1.0 
      0.56491832       0.43508168       0.00000000 1.0 
      0.57141015       0.42858985       0.00000000 1.0 
      0.57790198       0.42209802       0.00000000 1.0 
      0.58439381       0.41560619       0.00000000 1.0 
      0.59088564       0.40911436       0.00000000 1.0 
      0.59737747       0.40262253       0.00000000 1.0 
      0.60386931       0.39613069       0.00000000 1.0 
      0.61036114       0.38963886       0.00000000 1.0 
      0.61685297       0.38314703       0.00000000 1.0 
      0.62334480       0.37665520       0.00000000 1.0 
      0.62983663       0.37016337       0.00000000 1.0 
      0.63632846       0.36367154       0.00000000 1.0 
      0.64282030       0.35717970       0.00000000 1.0 
      0.64931213       0.35068787       0.00000000 1.0 
      0.65580396       0.34419604       0.00000000 1.0 
      0.66229579       0.33770421       0.00000000 1.0 
      0.66878762       0.33121238       0.00000000 1.0 
      0.67527945       0.32472055       0.00000000 1.0 
      0.68177129       0.31822871       0.00000000 1.0 
      0.68826312       0.31173688       0.00000000 1.0 
      0.69475495       0.30524505       0.00000000 1.0 
      0.70124678       0.29875322       0.00000000 1.0 
      0.29875322      -0.29875322       0.00000000 1.0 
      0.29225858      -0.29225858       0.00000000 1.0 
      0.28576395      -0.28576395       0.00000000 1.0 
      0.27926931      -0.27926931       0.00000000 1.0 
      0.27277468      -0.27277468       0.00000000 1.0 
      0.26628004      -0.26628004       0.00000000 1.0 
      0.25978541      -0.25978541       0.00000000 1.0 
      0.25329077      -0.25329077       0.00000000 1.0 
      0.24679614      -0.24679614       0.00000000 1.0 
      0.24030150      -0.24030150       0.00000000 1.0 
      0.23380687      -0.23380687       0.00000000 1.0 
      0.22731223      -0.22731223       0.00000000 1.0 
      0.22081760      -0.22081760       0.00000000 1.0 
      0.21432296      -0.21432296       0.00000000 1.0 
      0.20782833      -0.20782833       0.00000000 1.0 
      0.20133369      -0.20133369       0.00000000 1.0 
      0.19483906      -0.19483906       0.00000000 1.0 
      0.18834442      -0.18834442       0.00000000 1.0 
      0.18184979      -0.18184979       0.00000000 1.0 
      0.17535515      -0.17535515       0.00000000 1.0 
      0.16886052      -0.16886052       0.00000000 1.0 
      0.16236588      -0.16236588       0.00000000 1.0 
      0.15587124      -0.15587124       0.00000000 1.0 
      0.14937661      -0.14937661       0.00000000 1.0 
      0.14288197      -0.14288197       0.00000000 1.0 
      0.13638734      -0.13638734       0.00000000 1.0 
      0.12989270      -0.12989270       0.00000000 1.0 
      0.12339807      -0.12339807       0.00000000 1.0 
      0.11690343      -0.11690343       0.00000000 1.0 
      0.11040880      -0.11040880       0.00000000 1.0 
      0.10391416      -0.10391416       0.00000000 1.0 
      0.09741953      -0.09741953       0.00000000 1.0 
      0.09092489      -0.09092489       0.00000000 1.0 
      0.08443026      -0.08443026       0.00000000 1.0 
      0.07793562      -0.07793562       0.00000000 1.0 
      0.07144099      -0.07144099       0.00000000 1.0 
      0.06494635      -0.06494635       0.00000000 1.0 
      0.05845172      -0.05845172       0.00000000 1.0 
      0.05195708      -0.05195708       0.00000000 1.0 
      0.04546245      -0.04546245       0.00000000 1.0 
      0.03896781      -0.03896781       0.00000000 1.0 
      0.03247318      -0.03247318       0.00000000 1.0 
      0.02597854      -0.02597854       0.00000000 1.0 
      0.01948391      -0.01948391       0.00000000 1.0 
      0.01298927      -0.01298927       0.00000000 1.0 
      0.00649464      -0.00649464       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01190476       0.00000000       0.00000000 1.0 
      0.02380952       0.00000000       0.00000000 1.0 
      0.03571429       0.00000000      -0.00000000 1.0 
      0.04761905       0.00000000       0.00000000 1.0 
      0.05952381      -0.00000000       0.00000000 1.0 
      0.07142857       0.00000000      -0.00000000 1.0 
      0.08333333       0.00000000       0.00000000 1.0 
      0.09523810       0.00000000       0.00000000 1.0 
      0.10714286      -0.00000000      -0.00000000 1.0 
      0.11904762      -0.00000000       0.00000000 1.0 
      0.13095238       0.00000000       0.00000000 1.0 
      0.14285714       0.00000000      -0.00000000 1.0 
      0.15476190       0.00000000       0.00000000 1.0 
      0.16666667       0.00000000       0.00000000 1.0 
      0.17857143      -0.00000000       0.00000000 1.0 
      0.19047619       0.00000000       0.00000000 1.0 
      0.20238095       0.00000000      -0.00000000 1.0 
      0.21428571      -0.00000000      -0.00000000 1.0 
      0.22619048      -0.00000000       0.00000000 1.0 
      0.23809524      -0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26190476       0.00000000       0.00000000 1.0 
      0.27380952       0.00000000       0.00000000 1.0 
      0.28571429       0.00000000      -0.00000000 1.0 
      0.29761905       0.00000000      -0.00000000 1.0 
      0.30952381       0.00000000       0.00000000 1.0 
      0.32142857      -0.00000000       0.00000000 1.0 
      0.33333333       0.00000000       0.00000000 1.0 
      0.34523810      -0.00000000       0.00000000 1.0 
      0.35714286      -0.00000000       0.00000000 1.0 
      0.36904762      -0.00000000       0.00000000 1.0 
      0.38095238       0.00000000       0.00000000 1.0 
      0.39285714       0.00000000       0.00000000 1.0 
      0.40476190       0.00000000      -0.00000000 1.0 
      0.41666667      -0.00000000       0.00000000 1.0 
      0.42857143      -0.00000000      -0.00000000 1.0 
      0.44047619      -0.00000000       0.00000000 1.0 
      0.45238095      -0.00000000       0.00000000 1.0 
      0.46428571       0.00000000       0.00000000 1.0 
      0.47619048      -0.00000000       0.00000000 1.0 
      0.48809524      -0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48936170       0.00000000       0.48936170 1.0 
      0.47872340      -0.00000000       0.47872340 1.0 
      0.46808511      -0.00000000       0.46808511 1.0 
      0.45744681      -0.00000000       0.45744681 1.0 
      0.44680851       0.00000000       0.44680851 1.0 
      0.43617021       0.00000000       0.43617021 1.0 
      0.42553191      -0.00000000       0.42553191 1.0 
      0.41489362      -0.00000000       0.41489362 1.0 
      0.40425532      -0.00000000       0.40425532 1.0 
      0.39361702       0.00000000       0.39361702 1.0 
      0.38297872      -0.00000000       0.38297872 1.0 
      0.37234043       0.00000000       0.37234043 1.0 
      0.36170213       0.00000000       0.36170213 1.0 
      0.35106383       0.00000000       0.35106383 1.0 
      0.34042553       0.00000000       0.34042553 1.0 
      0.32978723       0.00000000       0.32978723 1.0 
      0.31914894       0.00000000       0.31914894 1.0 
      0.30851064       0.00000000       0.30851064 1.0 
      0.29787234      -0.00000000       0.29787234 1.0 
      0.28723404       0.00000000       0.28723404 1.0 
      0.27659574       0.00000000       0.27659574 1.0 
      0.26595745       0.00000000       0.26595745 1.0 
      0.25531915      -0.00000000       0.25531915 1.0 
      0.24468085      -0.00000000       0.24468085 1.0 
      0.23404255      -0.00000000       0.23404255 1.0 
      0.22340426       0.00000000       0.22340426 1.0 
      0.21276596       0.00000000       0.21276596 1.0 
      0.20212766       0.00000000       0.20212766 1.0 
      0.19148936       0.00000000       0.19148936 1.0 
      0.18085106      -0.00000000       0.18085106 1.0 
      0.17021277      -0.00000000       0.17021277 1.0 
      0.15957447       0.00000000       0.15957447 1.0 
      0.14893617       0.00000000       0.14893617 1.0 
      0.13829787       0.00000000       0.13829787 1.0 
      0.12765957       0.00000000       0.12765957 1.0 
      0.11702128      -0.00000000       0.11702128 1.0 
      0.10638298      -0.00000000       0.10638298 1.0 
      0.09574468      -0.00000000       0.09574468 1.0 
      0.08510638       0.00000000       0.08510638 1.0 
      0.07446809       0.00000000       0.07446809 1.0 
      0.06382979       0.00000000       0.06382979 1.0 
      0.05319149       0.00000000       0.05319149 1.0 
      0.04255319       0.00000000       0.04255319 1.0 
      0.03191489      -0.00000000       0.03191489 1.0 
      0.02127660       0.00000000       0.02127660 1.0 
      0.01063830      -0.00000000       0.01063830 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

