[CP2K-user] SCAN XC density functional: Do we have to use specific PSEUDOPOTENTIALS for SCAN? Are they available?

Vyacheslav Bryantsev vyachesla... at gmail.com
Thu Apr 9 14:50:30 UTC 2020

Dear CP2K Community,

Is there a set or recommended setting for using SCAN in cp2k?

More specifically, 
1. Can we use PBE pseudopotentials for SCAN or this is a bad idea? If not, 
where one can find specific pseudopotentials reparametrized for SCAN?
2. Does the D3 correction work automatically now with SCAN. If not, how to 
specify it?
3. Recommendations for grid when using SCAN

Thank you,

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200409/d5894752/attachment.htm>

More information about the CP2K-user mailing list