Hi,
I'm interested in calculating the Hubbard U parameter self consistently for meta-GGA functionals as described here https://www.vasp.at/wiki/index.php/Calc ... r_LSDA%2BU; however according to the output ICHARG>9 is currently not supported for meta-GGA functionals. Is there a workaround for this?
Or, is there any chance that ICHARG>9 will be allowed for meta-GGA functionals in the future?
Thanks,
Andrew
self consistent U for metaGGA
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alexey.tal
- Global Moderator
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Re: self consistent U for metaGGA
Dear Andrew,
At the moment it is not possible to use ICHARG>9 with meta-GGA functionals. It is on our to-do list but I can’t give you an exact timeline yet for when it will be ready.
At the moment it is not possible to use ICHARG>9 with meta-GGA functionals. It is on our to-do list but I can’t give you an exact timeline yet for when it will be ready.
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awang95
- Newbie
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- Joined: Thu May 26, 2022 3:50 pm
Re: self consistent U for metaGGA
ok thanks for letting me know