[CP2K-user] [CP2K:19656] NNP

Fengyun Ding dingfengyun579 at gmail.com
Wed Dec 13 08:31:28 UTC 2023


Dear developers and users:
I tried wACSF NNP but failed to run the AIMD, but I am not sure if cp2k 
supported the wACSF for FORCE EVALUATION with NNP?
Here is my problem in cp2k:
        NNP Symmetry function type not supported
                                             nnp_environment.F:490

Best wishes.
Fengyun Ding

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