[DFTB-Plus-User] Failure in diagonalisation routine ZHEEVR

[maryam soleymani]

Dear developer, 
I use recent version of the code from github. I tried to optimize a ZGNR, but It stopped in "geometry step: 75" with the error message :"Failure in diagonalisation routine ZHEEVR, unable to complete Cholesky factorization of B 132 
forrtl: warning (526): IEEE_INVALID is signaling 
forrtl: warning (527): IEEE_OVERFLOW is signaling 
forrtl: warning (528): IEEE_UNDERFLOW is signaling 

I use "Eigensolver = relativelyRobust {}" in the Hamiltonian. 
Are there anything else I need to be careful about? 
Thank you so much for your suggestions. 


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