[DFTB-Plus-User] R: Re: geometric optimization

[Bálint Aradi]

Dear Ahmed,

>
> ALLOCATION
> ERROR: array is already allocated
> 

 that looks like a bug. Could you please reduce your system size to the
smallest possible, where you still see the error. After that, could you
please send me a full input (including SK-files), so that I can try to
reproduce it myself?

 Thanks a lot.

  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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