| 10:56:49 PM PDT - Mon, Aug 12th 2019 |
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Now I am trying QA test neb-fch3cl and find NEB cannot converge with the original input. After I increased the NEB steps to 30, it got two oKs. This test contains solvation model.
This test cannot converge only through the increase of NEB steps, perhaps the initial geometry or other setting in the input is unsuitable.
I will put the results on Github, because the log files are too big.
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