| 6:03:12 PM PDT - Tue, Aug 13th 2019 |
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Thanks Dr. Ebylaska a lot for his explanaition of the reason of the nonconvergence of NEB and the Python code possibly to overcome this.
Zero string temperature method has a bug for the example HCN-HNC owing to the recent modification.
Thanks very much for the immediate fixation of this from Dr. Edoapra and the verification from Dr. Ebylaska.
I will try these.
You can find these on Github.
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