Replies : 2 Last Post : October 12, 2021 (Tue) 22:23:53
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About LDA+U or GGA+U calculation
Posted on : October 11, 2021 (Mon) 20:00:40
by Hong Jian Zhao
Dear all,
Is it possible to do LDA or GGA calculations with a Hubbard U corrections in AkaiKKR code? If yes, could you please tell me how to proceed? Thanks a lot.
537
[Re:02] About LDA+U or GGA+U calculation
Posted on : October 14, 2021 (Thu) 20:29:50
by Hong Jian Zhao
Dear Dr. Hitoshi GOMI,
Thanks a lot for your answer.
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[Re:01] About LDA+U or GGA+U calculation
Posted on : October 12, 2021 (Tue) 22:23:53
by Hitoshi GOMI
Hello Hong Jian Zhao,
As far as I know, AkaiKKR does not support Hubbard U corrections, unfortunately.
Hitoshi GOMI
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