[DFTB-Plus-User] How to get the detailed information for every step in detailed.out

[Bálint Aradi]

Dear chao,

>         Since the file detailed.out only contains the detailed
> information about the last step in MD run,
> how to get the detailed information for every step. 
>  
> Any comment or suggestion is appreciated.

Most of the relevant quantities are stored in md.out, where it is
present for all time steps per default.

  Best regards,

  Bálint


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


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