[DFTB-Plus-User] Fwd: SCC convergence problem for cluster calculation

[Bálint Aradi]

On 10/17/2012 02:16 PM, Anjali Singh wrote:
> When i am putting CalculateForces = Yes in input file, it is giving
> error. How to get forces on each atoms?

 If you use any driver (e.g. Driver = ConjugateGradient {}) it does it
automatically, you do not need to specify it extra.

  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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