[DFTB-Plus-User] geo_end.xyz problems

[=?x-gbk?Q?B=A8=A2lint_Aradi?=]

Dear ZHA Xianhu,

>         I conducted molecular dynamical calculation and obtained the geo_end.xyz file. The part of the file is as follows:
> 
>    Si     11.02957639      7.55376556      0.21701215      3.95615534     -1.33322505      1.09773349      1.03080439
>    Si     11.02957231      7.55375981     11.07900046      3.95615048     -3.10534209     -0.06785328      3.52098531
>    Si     11.02958206      7.55376461      5.64797864      3.95615270      1.95006581      3.17410503     -4.47129855
>    Si     12.39067264      6.15528683      1.55630258      3.83627825      0.50255769     -2.53059684     -0.38564024
>    Si     12.39070245      6.15525768     12.41821722      3.83627977     -2.21830361     -1.94310818      1.81608128
>  
> 

 charge (nr. of electrons) and velocity x,y,z components in AA/ps.

  Best regards,

  B¨¢lint

-- 
Dr. B¨¢lint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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