[DFTB-Plus-User] ARPACK related installation issue..DFTB+-18.1

Bálint Aradi aradi at uni-bremen.de
Fri Jun 22 17:03:47 CEST 2018


Dear Siddheshwar,
> 
> Do these lines mean that excited state calcs. are possible ONLY in 
> serial mode? Please help. If thats the case then, excited state 
> optimization would be a tough task perhaps.

Unfortunately, the excited state calculations are indeed not
MPI-parallelized yet.

  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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