[Wien] Hund's Exchange parameter (J)

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Fri May 11 16:24:50 CEST 2018


No, according to the definition of J:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.48.16929

On Friday 2018-05-11 16:09, Wien2k User wrote:

>Date: Fri, 11 May 2018 16:09:31
>From: Wien2k User <wien2k.user at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] Hund's Exchange parameter (J)
>
>Dear Prof. P. BLAHA and WIEN2k users;
>I want to estimate the effective value of Hubbard term  "Ueff=U-J"
>
>Can the Hund's Exchange parameter (J) be negative? 
>
>Thank you very much.
>
>


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