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

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Fri Apr 26 15:46:20 CEST 2013

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,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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