[DFTB-Plus-User] geo_end.xyz problems

xhzha at mail.ustc.edu.cn xhzha at mail.ustc.edu.cn
Fri Jun 24 09:56:27 CEST 2011


Dear dftb+ users,
        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
 

I don't kown what's  the meaning of the data in the last four rows. Could you give me an explansion? Thank you very much!  

ZHA Xianhu

Best regards to you!
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