[CP2K-user] [CP2K:18166] williams potential

[elephant gogogo!]

Dear CP2K users,

I have found 5 different potentials from the literatures, but when I use it 
in the cp2k, it will always have the mistakes, e.g.,geometry wrong. I 
assume, maybe the potential is not so accurate or not suitble for cp2k. So 
how could I deal with this problem? Please find one of my inputs in the 
attachment.

Thank you for your time!

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/747656f5-ceef-45f3-8762-8bf8b40265den%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221209/adf532f8/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: ceo2-1.inp
Type: chemical/x-gamess-input
Size: 6287 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221209/adf532f8/attachment.inp>