./Stage_1/CHARGES EIGENVAL output for 1010: TiO2_Ana_sp

Status: finished

   48   48    1    2
  0.1158652E+02  0.7622858E-09  0.7622858E-09  0.9571029E-09  0.5000000E-15
  1.000000000000000E-004
  CAR 
 TiO2_Ana_sp                             
    384     63    232
 
  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8000000E-02
     1      -53.443791722    -53.454145727   1.000000   1.000000
     2      -53.436424965    -53.428501491   1.000000   1.000000
     3      -53.429931857    -53.420627403   1.000000   1.000000
     4      -53.422811874    -53.395829754   1.000000   1.000000
     5      -53.418780935    -53.387761737   1.000000   1.000000
     6      -53.415963114    -53.384705614   1.000000   1.000000
     7      -53.411880464    -53.378476056   1.000000   1.000000
     8      -53.406186749    -53.375082965   1.000000   1.000000
     9      -53.402805955    -53.370299050   1.000000   1.000000
    10      -53.397679448    -53.367216242   1.000000   1.000000
    11      -53.390672558    -53.362111115   1.000000   1.000000
    12      -53.386503450    -53.359500066   1.000000   1.000000
    13      -53.383492929    -53.351006947   1.000000   1.000000
    14      -53.369404897    -53.348449729   1.000000   1.000000
    15      -53.358355204    -53.334723523   1.000000   1.000000
    16      -53.172949024    -53.168990791   1.000000   1.000000
    17      -29.919738219    -29.905185828   1.000000   1.000000
    18      -29.883358016    -29.875504732   1.000000   1.000000
    19      -29.875394864    -29.863376908   1.000000   1.000000
    20      -29.874486318    -29.850679936   1.000000   1.000000
    21      -29.865208849    -29.839670178   1.000000   1.000000
    22      -29.845885121    -29.823819826   1.000000   1.000000
    23      -29.842073006    -29.817204097   1.000000   1.000000
    24      -29.831543294    -29.816589796   1.000000   1.000000
    25      -29.811230568    -29.802800011   1.000000   1.000000
    26      -29.753898969    -29.734824233   1.000000   1.000000
    27      -29.751212808    -29.732294883   1.000000   1.000000
    28      -29.745515542    -29.729138539   1.000000   1.000000
    29      -29.743471539    -29.724365487   1.000000   1.000000
    30      -29.738566946    -29.714087680   1.000000   1.000000
    31      -29.691881665    -29.664450064   1.000000   1.000000
    32      -29.657621832    -29.650022575   1.000000   1.000000
    33      -29.656625131    -29.648212846   1.000000   1.000000
    34      -29.639481072    -29.615112415   1.000000   1.000000
    35      -29.636665335    -29.612658947   1.000000   1.000000
    36      -29.633419411    -29.609490171   1.000000   1.000000
    37      -29.630646448    -29.607285350   1.000000   1.000000
    38      -29.622355494    -29.602144219   1.000000   1.000000
    39      -29.617614320    -29.597148879   1.000000   1.000000
    40      -29.615262705    -29.590708424   1.000000   1.000000
    41      -29.611892326    -29.587915973   1.000000   1.000000
    42      -29.607559059    -29.582347127   1.000000   1.000000
    43      -29.604663815    -29.581212619   1.000000   1.000000
    44      -29.603925717    -29.578887144   1.000000   1.000000
    45      -29.597168471    -29.575093221   1.000000   1.000000
    46      -29.586005429    -29.551738840   1.000000   1.000000
    47      -29.583173849    -29.547391167   1.000000   1.000000
    48      -29.560367672    -29.544148765   1.000000   1.000000
    49      -29.546586740    -29.526332034   1.000000   1.000000
    50      -29.546324543    -29.522040711   1.000000   1.000000
    51      -29.543633769    -29.520749353   1.000000   1.000000
    52      -29.540845476    -29.518417693   1.000000   1.000000
    53      -29.539020802    -29.513809310   1.000000   1.000000
    54      -29.534851536    -29.513083736   1.000000   1.000000
    55      -29.533153841    -29.509461348   1.000000   1.000000
    56      -29.530321557    -29.504849635   1.000000   1.000000
    57      -29.526906081    -29.498225505   1.000000   1.000000
    58      -29.523729396    -29.495921473   1.000000   1.000000
    59      -29.517790146    -29.491587302   1.000000   1.000000
    60      -29.512520362    -29.486903841   1.000000   1.000000
    61      -29.506611951    -29.484892459   1.000000   1.000000
    62      -29.428176434    -29.410849469   1.000000   1.000000
    63      -29.372910421    -29.370440825   1.000000   1.000000
    64      -29.372754828    -29.369493833   1.000000   1.000000
    65      -14.387328950    -14.388753432   1.000000   1.000000
    66      -13.866661453    -13.868934938   1.000000   1.000000
    67      -13.862579078    -13.863965845   1.000000   1.000000
    68      -13.860164229    -13.861024237   1.000000   1.000000
    69      -13.854989235    -13.856382910   1.000000   1.000000
    70      -13.831705938    -13.833318541   1.000000   1.000000
    71      -13.829414054    -13.830368199   1.000000   1.000000
    72      -13.400565137    -13.402328337   1.000000   1.000000
    73      -13.283769960    -13.285198519   1.000000   1.000000
    74      -13.197295045    -13.199123318   1.000000   1.000000
    75      -13.195672204    -13.197743796   1.000000   1.000000
    76      -13.188759610    -13.191647090   1.000000   1.000000
    77      -13.184595405    -13.186393412   1.000000   1.000000
    78      -13.176412603    -13.177310394   1.000000   1.000000
    79      -13.172383028    -13.173839125   1.000000   1.000000
    80      -13.089793129    -13.091407191   1.000000   1.000000
    81      -13.084931673    -13.086749540   1.000000   1.000000
    82      -13.083242861    -13.084408232   1.000000   1.000000
    83      -13.082101233    -13.082775314   1.000000   1.000000
    84      -12.939613922    -12.941672420   1.000000   1.000000
    85      -12.938802173    -12.939757926   1.000000   1.000000
    86      -12.937643142    -12.939316108   1.000000   1.000000
    87      -12.932943753    -12.934330536   1.000000   1.000000
    88      -12.931785746    -12.933150032   1.000000   1.000000
    89      -12.914518263    -12.915201253   1.000000   1.000000
    90      -12.908091592    -12.909514027   1.000000   1.000000
    91      -12.907584657    -12.908918162   1.000000   1.000000
    92      -12.907230111    -12.908509058   1.000000   1.000000
    93      -12.775180549    -12.776824029   1.000000   1.000000
    94      -12.768541792    -12.770010423   1.000000   1.000000
    95      -12.767342515    -12.768454006   1.000000   1.000000
    96      -12.766741877    -12.767487949   1.000000   1.000000
    97       -1.205904558     -1.205151028   1.000000   1.000000
    98       -1.205378392     -1.203536589   1.000000   1.000000
    99       -1.204273452     -1.202630889   1.000000   1.000000
   100       -1.201518745     -1.199355070   1.000000   1.000000
   101       -1.191193377     -1.191096159   1.000000   1.000000
   102       -1.189598713     -1.187644071   1.000000   1.000000
   103       -1.189160580     -1.186606460   1.000000   1.000000
   104       -1.183606837     -1.182983296   1.000000   1.000000
   105       -0.995588588     -0.992462722   1.000000   1.000000
   106       -0.992982391     -0.991829982   1.000000   1.000000
   107       -0.992600557     -0.991002529   1.000000   1.000000
   108       -0.989091832     -0.988831043   1.000000   1.000000
   109       -0.975835778     -0.974373319   1.000000   1.000000
   110       -0.975349747     -0.969321731   1.000000   1.000000
   111       -0.969070609     -0.965779932   1.000000   1.000000
   112       -0.950663658     -0.952595351   1.000000   1.000000
   113       -0.691954460     -0.689493642   1.000000   1.000000
   114       -0.594434523     -0.591080686   1.000000   1.000000
   115       -0.591343779     -0.590262626   1.000000   1.000000
   116       -0.589420157     -0.588407153   1.000000   1.000000
   117       -0.589089086     -0.586714859   1.000000   1.000000
   118       -0.588563772     -0.586361771   1.000000   1.000000
   119       -0.579390475     -0.576453138   1.000000   1.000000
   120       -0.537301695     -0.531200735   1.000000   1.000000
   121       -0.535448081     -0.530475475   1.000000   1.000000
   122       -0.528528468     -0.530330014   1.000000   1.000000
   123       -0.527616714     -0.528519392   1.000000   1.000000
   124       -0.504886829     -0.502450358   1.000000   1.000000
   125       -0.503278589     -0.501739715   1.000000   1.000000
   126       -0.474397378     -0.470706785   1.000000   1.000000
   127       -0.469248380     -0.466966499   1.000000   1.000000
   128       -0.457111345     -0.455356560   1.000000   1.000000
   129       -0.454400745     -0.453679118   1.000000   1.000000
   130       -0.446034866     -0.443164634   1.000000   1.000000
   131       -0.442873023     -0.442363589   1.000000   1.000000
   132       -0.187296604     -0.187004448   1.000000   1.000000
   133        0.173948805      0.173906159   1.000000   1.000000
   134        0.175315883      0.175664801   1.000000   1.000000
   135        0.175496976      0.176876678   1.000000   1.000000
   136        0.181098516      0.182594521   1.000000   1.000000
   137        0.543704345      0.546645265   1.000000   1.000000
   138        0.545359355      0.547094134   1.000000   1.000000
   139        0.546383947      0.547969952   1.000000   1.000000
   140        0.547697831      0.548531715   1.000000   1.000000
   141        0.558674864      0.558533551   1.000000   1.000000
   142        0.559158385      0.565155454   1.000000   1.000000
   143        0.560300878      0.565572984   1.000000   1.000000
   144        0.577341984      0.575617137   1.000000   1.000000
   145        1.101369677      1.106083370   1.000000   1.000000
   146        1.105646370      1.107159096   1.000000   1.000000
   147        1.106062342      1.108952002   1.000000   1.000000
   148        1.113288103      1.115628400   1.000000   1.000000
   149        1.144674719      1.146387939   1.000000   1.000000
   150        1.148902524      1.148908277   1.000000   1.000000
   151        1.149767072      1.149677959   1.000000   1.000000
   152        1.151029985      1.152528917   1.000000   1.000000
   153        1.158022154      1.157485862   1.000000   1.000000
   154        1.159450347      1.159696421   1.000000   1.000000
   155        1.184447557      1.184330817   1.000000   1.000000
   156        1.197982104      1.198382439   1.000000   1.000000
   157        1.199148467      1.198783925   1.000000   1.000000
   158        1.227110639      1.231120893   1.000000   1.000000
   159        1.231721197      1.232912505   1.000000   1.000000
   160        1.232489173      1.234320767   1.000000   1.000000
   161        1.238900401      1.240450814   1.000000   1.000000
   162        1.849269140      1.847906946   1.000000   1.000000
   163        1.850229288      1.849290563   1.000000   1.000000
   164        1.925940753      1.925564374   1.000000   1.000000
   165        1.926215242      1.925724211   1.000000   1.000000
   166        2.032522496      2.030540733   1.000000   1.000000
   167        2.035384828      2.034096321   1.000000   1.000000
   168        2.036515860      2.036046736   1.000000   1.000000
   169        2.039572190      2.038919511   1.000000   1.000000
   170        2.083513089      2.081633523   1.000000   1.000000
   171        2.083900099      2.083009728   1.000000   1.000000
   172        2.084522675      2.083646711   1.000000   1.000000
   173        2.091027819      2.089558499   1.000000   1.000000
   174        2.306986664      2.304604693   1.000000   1.000000
   175        2.310054720      2.309001145   1.000000   1.000000
   176        2.310698811      2.309839638   1.000000   1.000000
   177        2.313360968      2.312651829   1.000000   1.000000
   178        2.314834897      2.314159175   1.000000   1.000000
   179        2.316916622      2.314696452   1.000000   1.000000
   180        2.321236270      2.321373223   1.000000   1.000000
   181        2.325413775      2.324990457   1.000000   1.000000
   182        2.407979835      2.408313088   1.000000   1.000000
   183        2.408767078      2.409213911   1.000000   1.000000
   184        2.416580017      2.416017578   1.000000   1.000000
   185        2.743618983      2.740213224   1.000000   1.000000
   186        2.743802043      2.741999936   1.000000   1.000000
   187        3.062760798      3.060160596   1.000000   1.000000
   188        3.062994355      3.060950430   1.000000   1.000000
   189        3.157194171      3.154690411   1.000000   1.000000
   190        3.157316922      3.155163501   1.000000   1.000000
   191        3.164179740      3.161171849   1.000000   1.000000
   192        3.167038581      3.165474849   1.000000   1.000000
   193        5.190047877      5.215179573   1.000000   1.000000
   194        5.511784157      5.547065362   1.000000   1.000000
   195        5.552638206      5.566284884   1.000000   1.000000
   196        5.897802047      5.921421862   0.016016   0.002461
   197        6.322367138      6.341374848   0.000000   0.000000
   198        6.325286763      6.344239209   0.000000   0.000000
   199        6.333114023      6.350180970   0.000000   0.000000
   200        6.338314683      6.352296370   0.000000   0.000000
   201        6.368594579      6.381299722   0.000000   0.000000
   202        6.371266061      6.395652243   0.000000   0.000000
   203        6.378888550      6.398923138   0.000000   0.000000
   204        6.382518569      6.400426287   0.000000   0.000000
   205        6.389455246      6.406894851   0.000000   0.000000
   206        6.405687243      6.408998472   0.000000   0.000000
   207        6.414047263      6.422330855   0.000000   0.000000
   208        6.419790940      6.440892021   0.000000   0.000000
   209        6.582032100      6.599296358   0.000000   0.000000
   210        6.592492473      6.601813778   0.000000   0.000000
   211        6.636591392      6.620758758   0.000000   0.000000
   212        6.651403555      6.641798444   0.000000   0.000000
   213        6.656159140      6.665161685   0.000000   0.000000
   214        6.757340755      6.675748142   0.000000   0.000000
   215        7.141321506      6.793508463   0.000000   0.000000
   216        7.642891067      8.322923727   0.000000   0.000000
   217        8.849288561      8.594105994   0.000000   0.000000
   218        8.914579621      9.499208931   0.000000   0.000000
   219        9.253235439      9.963843717   0.000000   0.000000
   220       10.553468500     12.631764904   0.000000   0.000000
   221       10.597994408     13.283883623   0.000000   0.000000
   222       13.103037093     14.069691758   0.000000   0.000000
   223       14.190919475     14.286669210   0.000000   0.000000
   224       14.484678115     14.426419957   0.000000   0.000000
   225       14.564610629     14.480605960   0.000000   0.000000
   226       14.534798589     14.846405489   0.000000   0.000000
   227       14.578438448     14.944201453   0.000000   0.000000
   228       14.666673525     15.143072460   0.000000   0.000000
   229       14.769541392     15.526270466   0.000000   0.000000
   230       15.538575892     15.552942333   0.000000   0.000000
   231       15.918011589     15.670752735   0.000000   0.000000
   232       18.601971715     18.375167745   0.000000   0.000000
 
  0.2000000E+00  0.0000000E+00  0.0000000E+00  0.1600000E-01
     1      -53.443208172    -53.454119671   1.000000   1.000000
     2      -53.436802329    -53.428460286   1.000000   1.000000
     3      -53.430314382    -53.420600920   1.000000   1.000000
     4      -53.422633774    -53.395672712   1.000000   1.000000
     5      -53.418671693    -53.388030815   1.000000   1.000000
     6      -53.416212506    -53.384377391   1.000000   1.000000
     7      -53.411627005    -53.378884711   1.000000   1.000000
     8      -53.405921395    -53.374954781   1.000000   1.000000
     9      -53.403012526    -53.370827142   1.000000   1.000000
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    32      -29.656254004    -29.647742013   1.000000   1.000000
    33      -29.653896776    -29.647413448   1.000000   1.000000
    34      -29.638727448    -29.617430750   1.000000   1.000000
    35      -29.635247520    -29.616176530   1.000000   1.000000
    36      -29.633731406    -29.607830974   1.000000   1.000000
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    38      -29.625249806    -29.601560360   1.000000   1.000000
    39      -29.620934407    -29.598666871   1.000000   1.000000
    40      -29.618504177    -29.594174577   1.000000   1.000000
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    46      -29.588484772    -29.556488412   1.000000   1.000000
    47      -29.584431179    -29.546763232   1.000000   1.000000
    48      -29.555132695    -29.538992650   1.000000   1.000000
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    55      -29.533648281    -29.508933262   1.000000   1.000000
    56      -29.530224705    -29.505195617   1.000000   1.000000
    57      -29.527917870    -29.500648205   1.000000   1.000000
    58      -29.525146145    -29.496386756   1.000000   1.000000
    59      -29.517483270    -29.494757748   1.000000   1.000000
    60      -29.512417274    -29.489864509   1.000000   1.000000
    61      -29.509657352    -29.484607898   1.000000   1.000000
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   193        5.959692142      5.981845392   0.000049   0.000003
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