[DFTB-Plus-User] Calculating DOS

Bálint Aradi aradi at uni-bremen.de
Mon Nov 18 14:27:57 CET 2019

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,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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