[CP2K-user] {Spam?} [CP2K:18160] potential setting

[elephant gogogo!]

ok,thanks! 

在2022年12月6日星期二 UTC+1 17:13:58<Matthias Krack> 写道：

> 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: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> elephant gogogo! <qumingzi... at gmail.com>
> *Date: *Tuesday, 6 December 2022 at 11:47
> *To: *cp2k <cp... 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
>
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