File: TEST_478.OUT_

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elkcode 10.8.1-1
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file content (203 lines) | stat: -rw-r--r-- 10,674 bytes parent folder | download
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'dynamical Born effective charge'
       3     200
    0.100000000000E-01
       1     1.32180528062         0.00000000000    
       2     1.26271786012        0.102412602739    
       3     1.14476174602        0.103030969731    
       4     1.08587874599        0.367035793079E-02
       5     1.14185434687       -0.905953077722E-01
       6     1.24510263316       -0.781438941792E-01
       7     1.26776276713        0.295552226099E-01
       8     1.15292783491        0.106317163942    
       9    0.987053614673        0.276590960451E-01
      10    0.936250213599       -0.200331471098    
      11     1.09640471007       -0.424807163286    
      12     1.39353339791       -0.468212475914    
      13     1.63230566163       -0.284656665513    
      14     1.65790680267       -0.816078005627E-02
      15     1.48960980242        0.157155096233    
      16     1.30405463565        0.112090319780    
      17     1.27881215293       -0.531073036141E-01
      18     1.43406439217       -0.142799498161    
      19     1.61534930943       -0.356455247631E-01
      20     1.63539286032        0.201434318446    
      21     1.44889140408        0.370019435589    
      22     1.20148579909        0.319688505392    
      23     1.10498743052        0.896645858408E-01
      24     1.24744485049       -0.117357061285    
      25     1.50812275155       -0.110437748305    
      26     1.65689611876        0.118712579953    
      27     1.55412788235        0.381916727452    
      28     1.27621533984        0.453539394933    
      29     1.05528557182        0.265650785684    
      30     1.08357362673       -0.300711821729E-01
      31     1.35075129690       -0.187292076633    
      32     1.65269173113       -0.686778373722E-01
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      34     1.60395312011        0.531230278493    
      35     1.31206979384        0.607222912198    
      36     1.09225790123        0.470239765981    
      37     1.05627788275        0.271893995379    
      38     1.14769637524        0.170651283995    
      39     1.22076900411        0.198379111355    
      40     1.18593853720        0.255629872634    
      41     1.08557539217        0.225956354362    
      42     1.03804140217        0.933855183656E-01
      43     1.11349806278       -0.464943322595E-01
      44     1.26385159906       -0.848873828634E-01
      45     1.37109614451       -0.745501865323E-02
      46     1.36274892551        0.929672276811E-01
      47     1.28075068539        0.108182196741    
      48     1.23807533563        0.198347679491E-01
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      53     1.42740790936        0.156111509386    
      54     1.36123752333        0.751162147368E-01
      55     1.41085339226       -0.347550763728E-01
      56     1.54419826293       -0.581764861636E-01
      57     1.64375764536        0.364505195085E-01
      58     1.62011201477        0.162171536616    
      59     1.50228541136        0.193627107951    
      60     1.41635665949        0.881601979000E-01
      61     1.46911922015       -0.677550652591E-01
      62     1.64532060606       -0.133901357602    
      63     1.81693856811       -0.453481674456E-01
      64     1.85855430768        0.125810012143    
      65     1.76201787873        0.235473160092    
      66     1.64261926367        0.199611499933    
      67     1.63054510098        0.695618802911E-01
      68     1.75013969448       -0.202643111329E-01
      69     1.90145706188        0.181193950991E-01
      70     1.96089111324        0.143975463302    
      71     1.90280305944        0.231939854415    
      72     1.82304755054        0.199025970406    
      73     1.84055105531        0.889261253244E-01
      74     1.97404446209        0.281011630460E-01
      75     2.11891141758        0.946793401069E-01
      76     2.15247990057        0.231531299913    
      77     2.06584843127        0.296713591043    
      78     1.98594377454        0.208816393569    
      79     2.05444849508        0.424879696750E-01
      80     2.27668665534       -0.326171541627E-01
      81     2.49791929413        0.760942792856E-01
      82     2.55084159777        0.269350127606    
      83     2.44443638552        0.331075794700    
      84     2.40017650611        0.148479048763    
      85     2.66646574444       -0.125880979321    
      86     3.25677169833       -0.150166269774    
      87     3.85999900452        0.319395133732    
      88     4.04554880609         1.17002795905    
      89     3.62068300508         1.95520451213    
      90     2.83071683904         2.22258355802    
      91     2.19623598606         1.88770139059    
      92     2.09297007431         1.31768358447    
      93     2.43183376751         1.01804272250    
      94     2.74517054057         1.17269917405    
      95     2.64120590048         1.45448511490    
      96     2.23685043354         1.32114234540    
      97     2.14557284876        0.581793540748    
      98     2.95409300389       -0.269973189568    
      99     4.59184865866       -0.323344417107    
     100     6.16632022324         1.00983772022    
     101     6.51216249186         3.36362834175    
     102     5.10738215636         5.47831214531    
     103     2.63391704717         6.02734053860    
     104    0.654792131728         4.64468133821    
     105    0.543715596694         2.34399831057    
     106     2.42694518840        0.921055534839    
     107     4.96302745147         1.70071403938    
     108     6.19723736910         4.53224980177    
     109     4.91506961590         7.80220868616    
     110     1.51536098783         9.49608528032    
     111    -2.24130596013         8.55580927293    
     112    -4.42458790115         5.55646452935    
     113    -4.19475434594         2.23759872407    
     114    -2.23671852066        0.274111074738    
     115   -0.117073963704        0.205451991672    
     116    0.887979584226         1.26687404538    
     117    0.604720875241         2.14999226490    
     118   -0.128614001767         2.03719718022    
     119   -0.275409263927         1.12076709230    
     120    0.560170040464        0.289888559895    
     121     1.90224382368        0.331814747612    
     122     2.87463803723         1.31927601740    
     123     2.91951577144         2.62835233941    
     124     2.17717164968         3.48733014021    
     125     1.28260616178         3.55926262711    
     126    0.822932406891         3.10477439895    
     127    0.929214346326         2.66734392133    
     128     1.29677094451         2.60935624132    
     129     1.53795479837         2.89360165370    
     130     1.51663947509         3.24023527428    
     131     1.38573278701         3.45559579844    
     132     1.34493928376         3.61335939799    
     133     1.37855102937         3.93988087151    
     134     1.22355640267         4.53421053436    
     135    0.594168320411         5.19046077519    
     136   -0.536613456271         5.48604416464    
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     138    -2.77452067523         3.91572577360    
     139    -2.92462549651         2.39281268699    
     140    -2.20441837388         1.06752501312    
     141   -0.919382511687        0.428589799299    
     142    0.387281165922        0.656752428078    
     143     1.18488213843         1.54775083245    
     144     1.19729733245         2.60266439063    
     145    0.547650537109         3.25321557732    
     146   -0.267473766494         3.15271218461    
     147   -0.611572571949         2.40984403606    
     148   -0.882652895964E-01     1.60679832248    
     149     1.13014822319         1.50708007426    
     150     2.28144235752         2.54984565804    
     151     2.41980332323         4.43866115342    
     152     1.06933909423         6.16980779915    
     153    -1.31327170866         6.60001228895    
     154    -3.47312575123         5.24622611138    
     155    -4.11462796759         2.74916470175    
     156    -2.81753260186        0.579273053498    
     157   -0.435013591074        0.848931497828E-01
     158     1.40523996489         1.51585790162    
     159     1.42818650083         3.76474242068    
     160   -0.324114172996         5.10149021368    
     161    -2.44147055049         4.43745118664    
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     163    -1.53783105079        0.140882952914    
     164     1.47587737024        0.102902132826    
     165     3.86120060491         2.67893461237    
     166     3.73860367172         6.67239799966    
     167    0.717784920727         9.82521532377    
     168    -3.79916116881         10.2956454231    
     169    -7.53618894859         7.84341131999    
     170    -8.81335685983         3.90463756570    
     171    -7.52966741183        0.558434294997    
     172    -5.02143692594       -0.828808672310    
     173    -2.99932155606       -0.325882459650    
     174    -2.39883206184        0.894523692463    
     175    -2.94924625137         1.56839488768    
     176    -3.65210183656         1.22146968907    
     177    -3.67667896205        0.313183041905    
     178    -2.94716234515       -0.331732383138    
     179    -2.03912816873       -0.251740652470    
     180    -1.58890124910        0.348340546485    
     181    -1.76342644153        0.881116928297    
     182    -2.20242521169        0.920427893848    
     183    -2.40076115187        0.521958717014    
     184    -2.14593949025        0.945962915542E-01
     185    -1.63956930727        0.185742792665E-02
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     187    -1.18112660721        0.640572798542    
     188    -1.32083196425        0.847236233016    
     189    -1.43242309840        0.862495582800    
     190    -1.40816343378        0.864625165251    
     191    -1.36955449686         1.00698571776    
     192    -1.51467717521         1.22801111154    
     193    -1.87918364273         1.29406347008    
     194    -2.25426815211         1.03288048729    
     195    -2.35038744240        0.529578237662    
     196    -2.05913021444        0.904882344658E-01
     197    -1.56913484906       -0.341426020196E-02
     198    -1.22253066400        0.264910792315    
     199    -1.23370414943        0.632825179047    
     200    -1.51698023852        0.781344072784