&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       1.937293271  23.097775147   6.915754313    1   0   1
C        5.473941191  23.880213805   9.401000501
C        4.840124452  24.590436023  10.593858210
C        3.208665901  23.834615329   9.203124792
O        3.431414876  24.706003180  10.183919074
H        4.855978814  23.993231934  11.516168987
H        5.225549014  25.600665944  10.786184425
H        6.199450511  23.108370556   9.693508042
O        2.101499462  23.627689868   8.709476119
O        4.323800190  23.226852680   8.769444598
H        5.902450914  24.574927137   8.659157121
C        5.090351855  26.259817323   4.414326171
C        5.771020847  25.385307344   5.475461502
C        3.535111666  24.929374957   5.412088246
O        4.689730521  24.547591968   5.976568768
H        6.545797858  24.733519706   5.048226554
H        6.159755858  25.956373471   6.331239373
H        5.386666616  25.981174267   3.393446977
O        2.456849892  24.406963764   5.682871385
O        3.670798685  25.949313524   4.568884160
H        5.209324573  27.339812981   4.579574519
C        1.895252044  27.301430307   8.072809957
C        2.235843485  27.794743271   9.481559651
C        4.177148327  27.363611080   8.358480442
O        3.671847138  28.022537174   9.422770244
H        1.745836394  28.740190152   9.753600395
H        2.054883236  27.027400392  10.248144389
H        1.504727118  28.090356589   7.408838425
O        5.358862210  27.215814749   8.122868474
O        3.187458667  26.868832995   7.563144351
H        1.211426247  26.439397207   8.069684069
C        2.063838632  27.203884810   1.494136985
C        2.513944546  28.453461319   2.248924774
C        4.331151059  27.459487228   1.280149673
O        3.961687001  28.332966732   2.257941405
H        2.250405400  29.391735097   1.732769265
H        2.163532116  28.488755162   3.289868351
H        1.213786760  27.375524670   0.815182427
O        5.477003823  27.219468482   0.973293617
O        3.245889479  26.877423167   0.707000786
H        1.838476323  26.343136248   2.142807719
O        1.218519827  14.789644416  14.918890281
C        0.857846206  14.755481771  13.623677288
O        0.078654075  13.955512168  13.140453129
C        2.758498842  19.213641666  13.933168017
C        2.305300872  18.213143765  13.013000800
C        2.335986573  18.266250376  11.602193113
C        1.965420546  17.157418047  10.863474709
C        1.532864717  15.962248510  11.461503058
C        1.454702893  15.905949946  12.869313607
C        1.845774963  17.018420137  13.606828665
H        2.668671422  19.175970307  11.102768154
H        2.018055968  17.196072676   9.772901892
H        1.795182782  16.946402309  14.696372721
H        0.672646290  14.108032859  15.427088183
C        1.252156190  14.798537776  10.544592179
O        1.659872128  13.666883255  10.724971415
O        0.578391121  15.209984323   9.456374797
H        0.376683397  14.405181812   8.871971309
H        2.677859163  18.871442981  14.968222551
C        3.315240435  20.465551341  13.837751633
C        3.443381707  21.306704356  12.640073362
C        3.820283690  21.250151552  14.958057568
C        4.157269307  22.579182258  14.413362071
O        3.935834198  22.571194690  13.041913794
O        4.599271548  23.579010347  14.942679243
O        3.198275485  21.140556982  11.465126224
C        4.062088652  21.051561207  16.294890590
C        4.021492460  19.906072396  17.183557643
C        4.164008447  18.560052342  16.779862637
C        4.124535108  17.519840813  17.698683056
C        3.912071796  20.156710248  18.568631568
C        3.854601159  19.116713069  19.491754011
C        3.941696025  17.790573189  19.059709973
H        4.366909537  21.979568052  16.800549207
H        3.898538884  21.194985453  18.922666593
H        3.759997797  19.343766644  20.558112231
H        3.899373834  16.965970332  19.776620521
H        4.240878929  16.489947901  17.350301531
H        4.352197983  18.326082154  15.732904677
O        4.760450153  15.186045838  14.896969436
C        4.521052642  15.047851756  13.574014241
O        3.822959612  14.172966802  13.098848610
C        6.436496617  19.581463335  13.463961864
C        5.993793344  18.465722467  12.666935674
C        5.966396415  18.386223573  11.255239399
C        5.575850211  17.215750427  10.630758493
C        5.155517429  16.085294213  11.345960540
C        5.124570441  16.152502887  12.755548167
C        5.572399434  17.315146614  13.377257949
H        6.273991255  19.244951953  10.661411729
H        5.607148212  17.155851260   9.541803120
H        5.589621569  17.324257295  14.469897920
H        4.288771779  14.431801475  15.370884648
C        4.824931476  14.861245219  10.526522114
O        5.316784787  13.761857218  10.680663824
O        4.000517559  15.198442886   9.518600011
H        3.809631899  14.375479288   8.949728904
H        6.367941655  19.361747371  14.534490590
C        6.914873526  20.855367556  13.215936683
C        7.008418443  21.541518602  11.914887602
C        7.327922997  21.836906582  14.214615817
C        7.579523887  23.103099998  13.483561306
O        7.395773595  22.879225513  12.121576974
O        7.902629570  24.199580148  13.888926468
O        6.786461955  21.189576871  10.773792532
C        7.482023880  21.940764795  15.577117361
C        7.442892372  21.061582434  16.723794140
C        7.635734909  19.665363019  16.707209275
C        7.641503978  18.918745506  17.881784297
C        7.252440497  21.666277776  17.998815718
C        7.261757088  20.921766487  19.175330670
C        7.463566990  19.539054014  19.118244941
H        7.702279091  22.982214549  15.853385950
H        6.976656055  22.731989526  18.029511002
H        7.099963638  21.394418188  20.147913501
H        7.472043132  18.950981604  20.039359901
H        7.797856888  17.836700715  17.831885397
H        7.817541542  19.160750275  15.757681512
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       -0.162762878   4.390325197  16.343298683
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       -0.154898366   4.391788724   8.018658237
V       -0.139379393   7.215598956   8.064173138
V        1.637949325   6.197701416  10.455605153
V        1.636236822   6.201896692  13.904460962
V       -0.137299135   7.199524137  16.314560472
O        1.637174694   6.775084068   8.466002124
O       -0.138442063   6.643642159  10.051368896
O       -0.138517236   6.638849666  14.317386587
O        1.634904915   6.747361110  15.909905596
O       -0.118721098   8.793089739  16.308148363
O        1.633452483   4.612146935  13.882331698
O        1.638169634   4.608214200  10.472760079
O        1.638945096   6.675083771  12.176895491
O       -0.142320245   6.756897386   6.331905937
O       -0.136958599   8.806782868   8.072624219
V       -0.152408032  11.579112488   8.042475280
V        1.626918730  10.720012345  10.492247748
V        1.623230278  10.586732975  13.910102022
V       -0.166470740  11.502635053  16.328498351
O        1.625540999  11.190427035   8.465744792
O       -0.153861112  11.141306886  10.055823630
O       -0.160479868  11.000144339  14.330797801
O        1.626517573  11.186845249  15.893013836
O       -0.224654888  13.109410724  16.371519924
O        1.638786955   9.000114902  13.832219197
O        1.635315907   9.134053675  10.517254018
O        1.616789571  11.175318063  12.231934116
O       -0.143745523  11.039323293   6.335465859
O       -0.147401933  13.182344603   7.922064433
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        3.455184543   4.388494987  16.364694940
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        3.421278389   2.252975097   6.322777139
O        3.449006330   4.390923306   7.996087795
V        3.412356180   7.217600794   8.061204965
V        5.190419555   6.199642174  10.453185396
V        5.190652406   6.210078952  13.905111326
V        3.408354382   7.196690996  16.315205938
O        5.189898903   6.785587910   8.468530036
O        3.412907249   6.642565743  10.048847584
O        3.411334536   6.629758351  14.321316783
O        5.190467540   6.782649380  15.904269965
O        3.385275167   8.788176462  16.314257398
O        5.195355272   4.620485076  13.892347688
O        5.192225508   4.610195033  10.464497983
O        5.188709813   6.671707651  12.175175159
O        3.415111697   6.751316939   6.332778656
O        3.406463227   8.809061638   8.058428720
V        3.396956608  11.594800135   8.039373644
V        5.177215388  10.710597453  10.486630640
V        5.172761111  10.568990791  13.898319119
V        3.418169947  11.559528346  16.306652262
O        5.171187065  11.193770847   8.456053421
O        3.402856340  11.157515331  10.066810467
O        3.403681672  11.036354109  14.315587866
O        5.170884274  11.064842709  15.912040303
O        3.504280423  13.163072922  16.312208730
O        5.159396218   8.984129533  13.800409597
O        5.172950814   9.124433044  10.511208369
O        5.184071342  11.174086476  12.221525581
O        3.385158734  11.104330537   6.322667946
O        3.391567195  13.202560660   7.955203921
