[DFTB-Plus-User] wavefunction files

[Bálint Aradi]

Dear Morteza,

> I'm just wondering if wavefunction files in the AIMPAC WFN format (wfx)
> can be generated in DFTB+ in order to be used with NCI
> <http://www.lct.jussieu.fr/pagesperso/contrera/nciplot.html>? Thanks. 

No, I am sorry, we do not have such a possibility in DFTB+ yet. If the
software you mention can use Gaussian cube files as input, you may
generate them by waveplot.

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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