How to construct SCAN0
Clicked A Few Times
1:42:14 PM PDT - Wed, May 1st 2019
To SCAN users/implementers:

I need to construct SCAN0 with 25% of HFexch in the "xc" line. To do this I need to know the names of its exchange and correlation parts.
Does anybody know?
Or, is there any other way to define hybrid of SCAN?

Thanks! Goose

Forum Vet
2:37:30 PM PDT - Fri, May 3rd 2019
Please do not use the SCAN functional (currently implemented only in the development version and not in any released version of NWChem) since it has not been fully vetted yet.

Clicked A Few Times
9:16:35 AM PDT - Mon, May 6th 2019
SCAN - not implemented?
"currently implemented only in the development version and not in any released version of NWChem"
Not exactly: SCAN IS implemented in release 6.8.1
goose

Forum Vet
4:45:52 PM PDT - Mon, May 6th 2019
goose,
Could you please let me know if both links work for you?
https://github.com/nwchemgit/nwchem/blob/master/src/nwdft/xc/xc_cscan.F
https://github.com/nwchemgit/nwchem/blob/hotfix/release-6-8/src/nwdft/xc/xc_cscan.F

Clicked A Few Times
7:57:26 AM PDT - Thu, May 9th 2019
links to SCAN
2-nd one doesn't work.
Thanks for replying,

goose


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