[DFTB-Plus-User] Calculating DOS

[Bálint Aradi]

Dear Sarah,

> Failure in diagonalisation routine ZHEEVR, unable to complete Cholesky
> factorization of B   1933
> forrtl: warning (528): IEEE_UNDERFLOW is signaling

In the order or decreasing likeliness: Either you have a geometry, which
is non-physical, you mixed up something in the SK-file specification, or
you run out of memory due to too many k-points.

  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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