[CP2K-user] {Spam?} [CP2K:18156] potential setting

[Krack Matthias (PSI)]

Just define for the Ce-Ce interaction an input section with zero contribution like in this example<https://github.com/cp2k/cp2k/blob/master/tests/Fist/regtest-7-1/UO2-4x4x4-autofit.inp#L76-L83> for the U-U interaction in UO2.

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of elephant gogogo! <qumingzizhemenan at gmail.com>
Date: Tuesday, 6 December 2022 at 11:47
To: cp2k <cp2k at googlegroups.com>
Subject: {Spam?} [CP2K:18154] potential setting
Hello,

I try to use the williams potential for MD calculation. Like the following picture, the literature just give the parameter O-O and Ce-O. Therefore, in my calculation, it has the mistake: Missing critical ForceField parameters!. And I have also found "Missing Spline_Non_Bond_En(  CE,  CE) ". Which means I should define the ce-ce . What should I do in this situation? Thank you very much!

Best Regards
Y
[cid:1829894f-86bc-4f91-a9a4-9e62aa91e31a]
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