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

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Mon Jan 7 18:05:41 CET 2013


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/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 261 bytes
Desc: OpenPGP digital signature
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20130107/2a2a7e03/attachment-0001.pgp>


More information about the DFTB-Plus-User mailing list