&CONTROL
    calculation   = "relax"
    forc_conv_thr =  1.00000e-03
    nstep         = 500
    pseudo_dir    = "~/pseudopotentials"
    verbosity     = "low"
/

&SYSTEM
    a                         =  7.1064256e+00
    b                         =  38.55465098e+00
    c                         =  11.714943242e+00
    constrained_magnetization = "none"
    degauss                   =  2.00000e-02
    ecutrho                   =  320.D0
    ecutwfc                   =  40 
    ibrav                     = 8
    nat                       = 203
    nosym                     = .FALSE.
    nspin                     = 1
    ntyp                      = 5
    occupations               = "smearing"
    smearing                  = "gaussian"
    vdw_corr                  = "DFT-D3"
    lda_plus_u                =.TRUE.
    Hubbard_U(1)              =3.0
    
/

&ELECTRONS
    conv_thr         =  1.00000e-06
    diago_david_ndim = 4
    diagonalization  = "david"
    electron_maxstep = 500
    mixing_beta      =  4.00000e-01
    mixing_mode      = "plain"
    mixing_ndim      = 8
/

&IONS
    ion_dynamics = "bfgs"
/

K_POINTS  gamma


ATOMIC_SPECIES
V      50.94150  V.pbe-rutgers.UPF
O      15.99940  O.pbe-rutgers.UPF	
C      12.011  C.pbe-rutgers.UPF	
H      1.0079  H.pbe-rutgers.UPF
Li     6.993   Li.pbe-rutgers.UPF

ATOMIC_POSITIONS {angstrom}     
Li       4.924178153  22.097775147   6.958753532    1   0   1
C        4.582067574  23.543316281   9.596510975
C        3.856857561  24.451121564  10.593019677
C        2.342898709  23.707465979   9.024310998
O        2.535970642  24.614990128   9.999604775
H        3.725473738  24.000205495  11.583663785
H        4.319274502  25.441670704  10.696466768
H        5.076610738  22.680919468  10.066819658
O        1.291680926  23.514738095   8.462588314
O        3.512122070  23.033330910   8.739869906
H        5.293317362  24.099771136   8.960322369
C        5.539339436  25.898730375   4.841486768
C        6.115495671  25.019905999   5.947516691
C        3.858977682  24.602854576   5.681252705
O        5.043666591  24.050304958   6.174291825
H        7.035503702  24.493187930   5.654572161
H        6.279002654  25.564589798   6.892487257
H        5.793406483  25.559121950   3.824495063
O        2.782895734  24.097163314   5.888050497
O        4.100935500  25.734649644   5.020037139
H        5.772737680  26.966642437   4.961875111
C        1.929451791  27.150894591   7.643084152
C        1.474315172  27.531750772   9.057255645
C        3.771864159  27.472683817   8.972506831
O        2.720648395  27.917902298   9.705226106
H        0.778435013  28.383943712   9.089107323
H        1.047359291  26.684070882   9.616172604
H        1.782767873  27.960602880   6.907416826
O        4.930114472  27.528658185   9.316908272
O        3.355440830  26.931916979   7.791187508
H        1.482637882  26.214802920   7.277639548
C        2.153667353  26.957159065   1.693449547
C        2.532558979  28.427104965   1.526934215
C        4.433039752  27.160197643   1.591862396
O        3.965739902  28.425053243   1.776038185
H        2.364222553  28.796903808   0.501590071
H        2.055026275  29.097939223   2.254709203
H        1.383430121  26.597685575   0.995756933
O        5.603249603  26.847615090   1.593927942
O        3.410217585  26.280787441   1.413505789
H        1.850330530  26.693849430   2.721665291
O        1.145413931  14.655269544  14.873625719
C        0.704508972  14.657027034  13.603505352
O       -0.134258071  13.899278086  13.152599642
C        2.617363842  19.078959985  13.919321166
C        2.170212712  18.093728998  12.985147809
C        2.194588185  18.156515147  11.575299252
C        1.781860828  17.065919724  10.832902926
C        1.356030754  15.868018649  11.429738941
C        1.298533070  15.799291067  12.837722925
C        1.691879281  16.907199507  13.576974532
H        2.548794344  19.062910322  11.085754519
H        1.801433046  17.115350014   9.741579265
H        1.647508851  16.838649041  14.666611432
H        0.607646157  13.983595328  15.406928809
C        1.083765165  14.708228633  10.511675373
O        1.460817144  13.571566274  10.722952851
O        0.466789168  15.123945563   9.391642972
H        0.271247024  14.318550217   8.805505552
H        2.428313549  18.767750082  14.950649680
C        3.260158665  20.290775798  13.844751690
C        3.527956280  21.109780945  12.657072420
C        3.643710781  21.089807139  14.992698965
C        4.076465067  22.401005496  14.474305009
O        4.040685771  22.355917585  13.083138657
O        4.477177959  23.391292678  15.046283620
O        3.367466886  20.936589447  11.467526713
C        3.673397378  20.909180370  16.351895149
C        3.588071363  19.763314121  17.228424617
C        3.858247942  18.428034424  16.843240747
C        3.791686796  17.389517474  17.763450415
C        3.296205050  20.000412728  18.591627295
C        3.253058640  18.963229762  19.519157419
C        3.484318893  17.648432850  19.105230561
H        3.762854909  21.880647334  16.864837877
H        3.005675006  21.015594898  18.906290652
H        3.020468866  19.185286820  20.565166715
H        3.436349757  16.822232322  19.819756993
H        3.991486549  16.362443007  17.440403710
H        4.155874588  18.205723657  15.816582834
O        4.544950242  15.145267026  14.770996708
C        4.345440827  14.957025535  13.446840791
O        3.691716996  14.044691730  12.980147285
C        6.251920084  19.488275543  13.246417847
C        5.808425824  18.360137291  12.468329644
C        5.809102525  18.241626761  11.059400530
C        5.418920289  17.058701913  10.459592761
C        4.991363160  15.948516497  11.204646255
C        4.942039555  16.051437398  12.610073420
C        5.367588783  17.235878715  13.205717957
H        6.135504964  19.087504528  10.456441910
H        5.460988078  16.968753150   9.371757441
H        5.353974742  17.281570708  14.298219970
H        4.114018119  14.376355783  15.258429752
C        4.663803412  14.711119829  10.407679792
O        5.195360133  13.626441722  10.544278527
O        3.800733393  15.032833840   9.432501844
H        3.625975857  14.215511748   8.844442548
H        6.135405562  19.294778266  14.316888827
C        6.810877266  20.723789929  12.987709377
C        6.964028754  21.386842403  11.677356112
C        7.283876603  21.679395678  13.982532810
C        7.653571259  22.914139090  13.238490595
O        7.468157844  22.681912746  11.872379562
O        8.069282500  23.977862494  13.636773385
O        6.702855664  21.035579049  10.542407381
C        7.468590344  21.768186658  15.340743508
C        7.296425359  20.916307762  16.500828463
C        7.222493103  19.506786550  16.523644763
C        7.042173096  18.808559650  17.717175084
C        7.277874067  21.573826266  17.763162264
C        7.061915639  20.881506902  18.954912907
C        6.920061717  19.484170267  18.931830356
H        7.829280454  22.772962348  15.607994383
H        7.512234873  22.642295646  17.804186703
H        7.109075415  21.411948071  19.915122217
H        6.765715254  18.929704354  19.863130681
H        6.998699766  17.715132607  17.694889594
H        7.343636501  18.935413781  15.600291662
V       -0.134733838   2.804115302   8.048581670    0   0   0
V        1.648928193   1.748805639  10.434236197    0   0   0
V        1.648594937   1.757244202  13.925610891    0   0   0
V       -0.136873846   2.802412331  16.310796834    0   0   0
O        1.648035880   2.356556037   8.425208241    0   0   0
O       -0.130995286   2.184788240  10.002244533    0   0   0
O       -0.131644224   2.192471566  14.354773447    0   0   0
O        1.647193248   2.358553644  15.935695769    0   0   0
O       -0.167296945   4.391114969  16.334271812
O        1.656236091   0.179706171  13.980174515    0   0   0
O        1.655436448   0.170997009  10.385994442    0   0   0
O        1.644909250   2.172804413  12.178801649    0   0   0
O       -0.126906763   2.286496132   6.321937994    0   0   0
O       -0.154841014   4.392297331   8.011756894
V       -0.168262702   7.165336057   8.024573284
V        1.617614447   6.165696769  10.417031060
V        1.615598451   6.160799144  13.859110224
V       -0.155584818   7.141724839  16.272288785
O        1.616673544   6.752921565   8.430079194
O       -0.162989985   6.598648897  10.010994565
O       -0.158663534   6.595155866  14.274950729
O        1.614530959   6.680384742  15.868716891
O       -0.125263568   8.735554099  16.254148004
O        1.613939348   4.571419716  13.830902495
O        1.622027749   4.575962496  10.442330769
O        1.614603679   6.643321894  12.135045443
O       -0.162270176   6.711536738   6.292651772
O       -0.191821674   8.756635444   8.031143743
V       -0.205465216  11.483103238   7.975583266
V        1.572830204  10.640779283  10.430099365
V        1.584599771  10.514097342  13.843344091
V       -0.215192072  11.410692400  16.267064829
O        1.568269161  11.072394722   8.391766473
O       -0.205727601  11.057840034   9.990871072
O       -0.198772397  10.930363356  14.259121487
O        1.579661410  11.110150277  15.827287926
O       -0.289918679  13.017653526  16.331200818
O        1.605529211   8.927580110  13.768250533
O        1.593865700   9.054968436  10.465515531
O        1.570010164  11.103046472  12.167566451
O       -0.202183845  10.940772573   6.269682617
O       -0.181359364  13.087067068   7.850372064
V        3.431868313   2.804146790   8.043470009    0   0   0
V        5.198183101   1.748455001  10.441871392    0   0   0
V        5.198421279   1.753600095  13.914128826    0   0   0
V        3.432265913   2.801279494  16.316442257    0   0   0
O        5.200967102   2.306925116   8.420093725    0   0   0
O        3.425522072   2.201359624  10.004690458    0   0   0
O        3.425925807   2.206386186  14.355274624    0   0   0
O        5.200529813   2.297238284  15.940925805    0   0   0
O        3.453694707   4.389737222  16.357245240
O        5.190666442   0.175501150  13.923942167    0   0   0
O        5.190081243   0.170313095  10.432556069    0   0   0
O        5.200761830   2.214051054  12.176923601    0   0   0
O        3.421777614   2.254473662   6.322059876
O        3.442107760   4.390972209   7.986390556
V        3.392918698   7.180962085   8.025387114
V        5.169337693   6.152770106  10.416402016
V        5.171181397   6.169476169  13.864742730
V        3.383204250   7.142410153  16.270088082
O        5.164722103   6.727755907   8.427707665
O        3.393878580   6.601389245  10.013634709
O        3.390142978   6.582314925  14.275578781
O        5.168886548   6.742265313  15.861797848
O        3.344221882   8.733241363  16.240951964
O        5.180021592   4.579977666  13.861144538
O        5.173595243   4.563675724  10.439011870
O        5.172470285   6.626926018  12.135067663
O        3.391826785   6.728542547   6.296063638
O        3.402832318   8.774460415   8.030486668
V        3.334953466  11.475495627   7.957196597
V        5.118102383  10.658365755  10.424616180
V        5.136134057  10.506131741  13.825959469
V        3.373388168  11.462379481  16.238105055
O        5.115845747  11.120289443   8.392359326
O        3.339857395  11.095578193   9.999808130
O        3.362012171  10.962577104  14.247290441
O        5.129305485  10.972875449  15.838278936
O        3.456681123  13.065749324  16.261304661
O        5.124717457   8.922405302  13.716696437
O        5.105980898   9.072578886  10.466792001
O        5.134515843  11.128433871  12.156550523
O        3.340719076  10.975007979   6.246155918
O        3.299720893  13.082727358   7.838946098
