! Pwscf input file created with pymatgen.py 
! Compound: LiNbO3
&control
         calculation     = 'bands'
         prefix          = 'LiNbO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.3011717572080013
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9999999999999998
         celldm(4)       =            0.5504194818875328
         celldm(5)       =            0.5504194818875328
         celldm(6)       =            0.5504194818875328
         nat             =       10
         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 
Nb  92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
270
      0.00000000       0.00000000       0.00000000 1.0 
      0.01351351       0.00000000       0.00000000 1.0 
      0.02702703       0.00000000       0.00000000 1.0 
      0.04054054       0.00000000       0.00000000 1.0 
      0.05405405       0.00000000       0.00000000 1.0 
      0.06756757       0.00000000       0.00000000 1.0 
      0.08108108       0.00000000       0.00000000 1.0 
      0.09459459       0.00000000       0.00000000 1.0 
      0.10810811       0.00000000       0.00000000 1.0 
      0.12162162       0.00000000       0.00000000 1.0 
      0.13513514       0.00000000       0.00000000 1.0 
      0.14864865       0.00000000       0.00000000 1.0 
      0.16216216       0.00000000       0.00000000 1.0 
      0.17567568       0.00000000       0.00000000 1.0 
      0.18918919       0.00000000       0.00000000 1.0 
      0.20270270       0.00000000       0.00000000 1.0 
      0.21621622       0.00000000       0.00000000 1.0 
      0.22972973       0.00000000       0.00000000 1.0 
      0.24324324       0.00000000       0.00000000 1.0 
      0.25675676       0.00000000       0.00000000 1.0 
      0.27027027       0.00000000       0.00000000 1.0 
      0.28378378       0.00000000       0.00000000 1.0 
      0.29729730       0.00000000       0.00000000 1.0 
      0.31081081       0.00000000       0.00000000 1.0 
      0.32432432       0.00000000       0.00000000 1.0 
      0.33783784       0.00000000       0.00000000 1.0 
      0.35135135       0.00000000       0.00000000 1.0 
      0.36486486       0.00000000       0.00000000 1.0 
      0.37837838       0.00000000       0.00000000 1.0 
      0.39189189       0.00000000       0.00000000 1.0 
      0.40540541       0.00000000       0.00000000 1.0 
      0.41891892       0.00000000       0.00000000 1.0 
      0.43243243       0.00000000       0.00000000 1.0 
      0.44594595       0.00000000       0.00000000 1.0 
      0.45945946       0.00000000       0.00000000 1.0 
      0.47297297       0.00000000       0.00000000 1.0 
      0.48648649       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00820690      -0.00820690 1.0 
      0.50000000       0.01641380      -0.01641380 1.0 
      0.50000000       0.02462071      -0.02462071 1.0 
      0.50000000       0.03282761      -0.03282761 1.0 
      0.50000000       0.04103451      -0.04103451 1.0 
      0.50000000       0.04924141      -0.04924141 1.0 
      0.50000000       0.05744831      -0.05744831 1.0 
      0.50000000       0.06565522      -0.06565522 1.0 
      0.50000000       0.07386212      -0.07386212 1.0 
      0.50000000       0.08206902      -0.08206902 1.0 
      0.50000000       0.09027592      -0.09027592 1.0 
      0.50000000       0.09848282      -0.09848282 1.0 
      0.50000000       0.10668972      -0.10668972 1.0 
      0.50000000       0.11489663      -0.11489663 1.0 
      0.50000000       0.12310353      -0.12310353 1.0 
      0.50000000       0.13131043      -0.13131043 1.0 
      0.50000000       0.13951733      -0.13951733 1.0 
      0.50000000       0.14772423      -0.14772423 1.0 
      0.50000000       0.15593114      -0.15593114 1.0 
      0.50000000       0.16413804      -0.16413804 1.0 
      0.50000000       0.17234494      -0.17234494 1.0 
      0.50000000       0.18055184      -0.18055184 1.0 
      0.50000000       0.18875874      -0.18875874 1.0 
      0.50000000       0.19696565      -0.19696565 1.0 
      0.50000000       0.20517255      -0.20517255 1.0 
      0.50000000       0.21337945      -0.21337945 1.0 
      0.50000000       0.22158635      -0.22158635 1.0 
      0.50000000       0.22979325      -0.22979325 1.0 
      0.50000000       0.23800016      -0.23800016 1.0 
      0.76199984       0.50000000       0.23800016 1.0 
      0.75381235       0.50000000       0.24618765 1.0 
      0.74562485       0.50000000       0.25437515 1.0 
      0.73743736       0.50000000       0.26256264 1.0 
      0.72924986       0.50000000       0.27075014 1.0 
      0.72106237       0.50000000       0.27893763 1.0 
      0.71287487       0.50000000       0.28712513 1.0 
      0.70468738       0.50000000       0.29531262 1.0 
      0.69649988       0.50000000       0.30350012 1.0 
      0.68831239       0.50000000       0.31168761 1.0 
      0.68012489       0.50000000       0.31987511 1.0 
      0.67193740       0.50000000       0.32806260 1.0 
      0.66374990       0.50000000       0.33625010 1.0 
      0.65556241       0.50000000       0.34443759 1.0 
      0.64737491       0.50000000       0.35262509 1.0 
      0.63918742       0.50000000       0.36081258 1.0 
      0.63099992       0.50000000       0.36900008 1.0 
      0.62281243       0.50000000       0.37718757 1.0 
      0.61462493       0.50000000       0.38537507 1.0 
      0.60643744       0.50000000       0.39356256 1.0 
      0.59824994       0.50000000       0.40175006 1.0 
      0.59006245       0.50000000       0.40993755 1.0 
      0.58187495       0.50000000       0.41812505 1.0 
      0.57368746       0.50000000       0.42631254 1.0 
      0.56549996       0.50000000       0.43450004 1.0 
      0.55731247       0.50000000       0.44268753 1.0 
      0.54912497       0.50000000       0.45087503 1.0 
      0.54093748       0.50000000       0.45906252 1.0 
      0.53274998       0.50000000       0.46725002 1.0 
      0.52456249       0.50000000       0.47543751 1.0 
      0.51637499       0.50000000       0.48362501 1.0 
      0.50818750       0.50000000       0.49181250 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48571429       0.48571429       0.48571429 1.0 
      0.47142857       0.47142857       0.47142857 1.0 
      0.45714286       0.45714286       0.45714286 1.0 
      0.44285714       0.44285714       0.44285714 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41428571       0.41428571       0.41428571 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38571429       0.38571429       0.38571429 1.0 
      0.37142857       0.37142857       0.37142857 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.34285714       0.34285714       0.34285714 1.0 
      0.32857143       0.32857143       0.32857143 1.0 
      0.31428571       0.31428571       0.31428571 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.27142857       0.27142857       0.27142857 1.0 
      0.25714286       0.25714286       0.25714286 1.0 
      0.24285714       0.24285714       0.24285714 1.0 
      0.22857143       0.22857143       0.22857143 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18571429       0.18571429       0.18571429 1.0 
      0.17142857       0.17142857       0.17142857 1.0 
      0.15714286       0.15714286       0.15714286 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.12857143       0.12857143       0.12857143 1.0 
      0.11428571       0.11428571       0.11428571 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08571429       0.08571429       0.08571429 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05714286       0.05714286       0.05714286 1.0 
      0.04285714       0.04285714       0.04285714 1.0 
      0.02857143       0.02857143       0.02857143 1.0 
      0.01428571       0.01428571       0.01428571 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00820000       0.00000000      -0.00820000 1.0 
      0.01640000       0.00000000      -0.01640000 1.0 
      0.02460001       0.00000000      -0.02460001 1.0 
      0.03280001       0.00000000      -0.03280001 1.0 
      0.04100001       0.00000000      -0.04100001 1.0 
      0.04920001       0.00000000      -0.04920001 1.0 
      0.05740001       0.00000000      -0.05740001 1.0 
      0.06560001       0.00000000      -0.06560001 1.0 
      0.07380002       0.00000000      -0.07380002 1.0 
      0.08200002       0.00000000      -0.08200002 1.0 
      0.09020002       0.00000000      -0.09020002 1.0 
      0.09840002       0.00000000      -0.09840002 1.0 
      0.10660002       0.00000000      -0.10660002 1.0 
      0.11480002       0.00000000      -0.11480002 1.0 
      0.12300003       0.00000000      -0.12300003 1.0 
      0.13120003       0.00000000      -0.13120003 1.0 
      0.13940003       0.00000000      -0.13940003 1.0 
      0.14760003       0.00000000      -0.14760003 1.0 
      0.15580003       0.00000000      -0.15580003 1.0 
      0.16400003       0.00000000      -0.16400003 1.0 
      0.17220004       0.00000000      -0.17220004 1.0 
      0.18040004       0.00000000      -0.18040004 1.0 
      0.18860004       0.00000000      -0.18860004 1.0 
      0.19680004       0.00000000      -0.19680004 1.0 
      0.20500004       0.00000000      -0.20500004 1.0 
      0.21320004       0.00000000      -0.21320004 1.0 
      0.22140005       0.00000000      -0.22140005 1.0 
      0.22960005       0.00000000      -0.22960005 1.0 
      0.23780005       0.00000000      -0.23780005 1.0 
      0.24600005       0.00000000      -0.24600005 1.0 
      0.25420005       0.00000000      -0.25420005 1.0 
      0.26240006       0.00000000      -0.26240006 1.0 
      0.27060006       0.00000000      -0.27060006 1.0 
      0.27880006       0.00000000      -0.27880006 1.0 
      0.28700006       0.00000000      -0.28700006 1.0 
      0.29520006       0.00000000      -0.29520006 1.0 
      0.30340006       0.00000000      -0.30340006 1.0 
      0.31160007       0.00000000      -0.31160007 1.0 
      0.31980007       0.00000000      -0.31980007 1.0 
      0.32800007       0.00000000      -0.32800007 1.0 
      0.33620007       0.00000000      -0.33620007 1.0 
      0.34440007       0.00000000      -0.34440007 1.0 
      0.35260007       0.00000000      -0.35260007 1.0 
      0.36080008       0.00000000      -0.36080008 1.0 
      0.36900008       0.00000000      -0.36900008 1.0 
      0.63099992       0.36900008       0.00000000 1.0 
      0.62281243       0.37718757       0.00000000 1.0 
      0.61462493       0.38537507       0.00000000 1.0 
      0.60643744       0.39356256       0.00000000 1.0 
      0.59824994       0.40175006       0.00000000 1.0 
      0.59006245       0.40993755       0.00000000 1.0 
      0.58187495       0.41812505       0.00000000 1.0 
      0.57368746       0.42631254       0.00000000 1.0 
      0.56549996       0.43450004       0.00000000 1.0 
      0.55731247       0.44268753       0.00000000 1.0 
      0.54912497       0.45087503       0.00000000 1.0 
      0.54093748       0.45906252       0.00000000 1.0 
      0.53274998       0.46725002       0.00000000 1.0 
      0.52456249       0.47543751       0.00000000 1.0 
      0.51637499       0.48362501       0.00000000 1.0 
      0.50818750       0.49181250       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50935714       0.50935714       0.01700001 1.0 
      0.51871427       0.51871427       0.03400002 1.0 
      0.52807141       0.52807141       0.05100003 1.0 
      0.53742855       0.53742855       0.06800004 1.0 
      0.54678569       0.54678569       0.08500006 1.0 
      0.55614282       0.55614282       0.10200007 1.0 
      0.56549996       0.56549996       0.11900008 1.0 
      0.57485710       0.57485710       0.13600009 1.0 
      0.58421424       0.58421424       0.15300010 1.0 
      0.59357137       0.59357137       0.17000011 1.0 
      0.60292851       0.60292851       0.18700012 1.0 
      0.61228565       0.61228565       0.20400013 1.0 
      0.62164278       0.62164278       0.22100014 1.0 
      0.63099992       0.63099992       0.23800016 1.0 
      0.63099992       0.63099992       0.23800016 1.0 
      0.62632135       0.62632135       0.24735729 1.0 
      0.62164278       0.62164278       0.25671443 1.0 
      0.61696422       0.61696422       0.26607157 1.0 
      0.61228565       0.61228565       0.27542870 1.0 
      0.60760708       0.60760708       0.28478584 1.0 
      0.60292851       0.60292851       0.29414298 1.0 
      0.59824994       0.59824994       0.30350012 1.0 
      0.59357137       0.59357137       0.31285725 1.0 
      0.58889280       0.58889280       0.32221439 1.0 
      0.58421424       0.58421424       0.33157153 1.0 
      0.57953567       0.57953567       0.34092867 1.0 
      0.57485710       0.57485710       0.35028580 1.0 
      0.57017853       0.57017853       0.35964294 1.0 
      0.56549996       0.56549996       0.36900008 1.0 
      0.56082139       0.56082139       0.37835722 1.0 
      0.55614282       0.55614282       0.38771435 1.0 
      0.55146426       0.55146426       0.39707149 1.0 
      0.54678569       0.54678569       0.40642863 1.0 
      0.54210712       0.54210712       0.41578576 1.0 
      0.53742855       0.53742855       0.42514290 1.0 
      0.53274998       0.53274998       0.43450004 1.0 
      0.52807141       0.52807141       0.44385718 1.0 
      0.52339284       0.52339284       0.45321431 1.0 
      0.51871427       0.51871427       0.46257145 1.0 
      0.51403571       0.51403571       0.47192859 1.0 
      0.50935714       0.50935714       0.48128573 1.0 
      0.50467857       0.50467857       0.49064286 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.51047999       0.01476000       0.01476000 1.0 
      0.52095999       0.02952001       0.02952001 1.0 
      0.53143998       0.04428001       0.04428001 1.0 
      0.54191998       0.05904001       0.05904001 1.0 
      0.55239997       0.07380002       0.07380002 1.0 
      0.56287996       0.08856002       0.08856002 1.0 
      0.57335996       0.10332002       0.10332002 1.0 
      0.58383995       0.11808002       0.11808002 1.0 
      0.59431994       0.13284003       0.13284003 1.0 
      0.60479994       0.14760003       0.14760003 1.0 
      0.61527993       0.16236003       0.16236003 1.0 
      0.62575993       0.17712004       0.17712004 1.0 
      0.63623992       0.19188004       0.19188004 1.0 
      0.64671991       0.20664004       0.20664004 1.0 
      0.65719991       0.22140005       0.22140005 1.0 
      0.66767990       0.23616005       0.23616005 1.0 
      0.67815989       0.25092005       0.25092005 1.0 
      0.68863989       0.26568006       0.26568006 1.0 
      0.69911988       0.28044006       0.28044006 1.0 
      0.70959988       0.29520006       0.29520006 1.0 
      0.72007987       0.30996007       0.30996007 1.0 
      0.73055986       0.32472007       0.32472007 1.0 
      0.74103986       0.33948007       0.33948007 1.0 
      0.75151985       0.35424007       0.35424007 1.0 
      0.76199984       0.36900008       0.36900008 1.0 

