Issue in convergence of environ calculation in water

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Sep 4, 2024, 2:34:31 AM9/4/24

to quantum-environ-users

Thanking you for all the assistance provided,

I am simulating a 1D system in water to know the solvation energy but consistently facing convergence issue with error message

"Error in routine c_bands (1):

too many bands are not converged"

Can some one help me in resolving this

Any help is deeply appreciated

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Oct 10, 2024, 11:05:17 AM10/10/24

to quantum-environ-users

usually, I solved this problem by using 1 node in the submission script!

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Oct 21, 2024, 5:52:09 PM10/21/24

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Could you include the output files to your failing calculations?

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