[DFTB-Plus-User] Zinc phthalocyanine waveplot

[Bálint Aradi]

On 11/19/2012 01:22 PM, Bhatt, Mahesh wrote:
> 
> Hi all,
> I already calculated waveplot for fullerene (C60) and pentacene. But, when I tried to calculate waveplot for zinc phthalocyanine molecule, I got the following message:
> Interpreting input file 'waveplot_in.hsd'

 You are trying to feed in different versions of detailed.xml and
eigvec.bin. They must be constructed within the same dftb+ calculation.

  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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