[Pw_forum] Dudarev DFT+U version

[evan]

Hello, Q.E. users

Is the DFT+U scheme (lda_plus_u_kind = 0) similar to the Dudarev DFT+U version (simplified rotational invariant, PRB, 57, 1505), which means whether the U term (lda_plus_u_kind = 0) is an effective U (that is, U_eff = U-J) or not?

Thank you in advance.

Evan

USC, China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161222/057eb1d9/attachment.html>