[DFTB-Plus-User] Molecular Dynamics ERROR

Mandelle Danser mdanser at nd.edu
Tue Dec 1 21:53:50 CET 2009

I am trying to run molecular dynamics simulations and within the run an
error message comes up saying 'failure in diagonalisation routine dsygvd,
non-positive definite overlap!'  Is there any way to get around this?  What
must be changed in the input to avoid such errors?
Thank you.
-Mandelle Danser
University of Notre Dame
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