[DFTB-Plus-User] Failure on MD run

HAYDEE VALDES GONZALEZ valdeshaydee at uniovi.es
Wed Nov 26 11:06:35 CET 2008

Hi Everyone,

I would like to run an MD calculation using DFTB+. 
I am starting from an DFTB+ optimized geom  but I get the following message

-> Failure in diagonalisation routine dsygvd, non-positive definite overlap! Minor  866 responsible.

Could please anyone help me with that?

Thanks in advance,

Haydee Valdes

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