Dear Wien2k community,
My system is a molecule (periodic along x and vacuum along y an z).
The structural optimization took a long time due to the small atoms soft
modes (N, C and H). In order to avoid that the optimization lasts for ever,
I used the following convergence criteria:
-ec 0.001 -cc 0.001 -fc 1.0
I would like to know if you consider that this convergence is acceptable.
Thank you for your attention.
All the best,
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