[DFTB-Plus-User] Failure on OPT run

[HAYDEE VALDES GONZALEZ]

Hi Everyone,

I am trying to run an OPT using DFTB+.
I get the following message:

ERROR!
-> Failure in diagonalisation routine dsygvd, non-positive definite overlap! Minor 1343 responsible.


Could anyone please help me with that?

Thank you very much in advance,

Haydee Valdes