potential setting

[elephant gogogo!]

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

[Krack Matthias (PSI)]

Just define for the Ce-Ce interaction an input section with zero contribution like in this example for the U-U interaction in UO2.

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[elephant gogogo!]

ok,thanks!