[DFTB-Plus-User] Correction to dispUFF.f90

[Bálint Aradi]

Dear Sharma,

> Specifically, since the changes are only in the subroutine named
> UpdateLatVecs, I want to know whether the optimization will be affected
> even when the cell parameters are fixed or not?

Yes, optimization of periodic structures was definitely effected by the
bug, as the 1/r^6 part of the disperion was summed up incorrectly.

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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