[Wien] LSDA+U+SOC energy problem

[tran at theochem.tuwien.ac.at]

Hi,

The SOC contribution to the total energy is included in the sum
of the orbital energies. It is not calculated and printed separately.

FT

On Thursday 2019-06-13 05:07, 杨柯 wrote:

>Date: Thu, 13 Jun 2019 05:07:30
>From: 杨柯 <kyang15 at fudan.edu.cn>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] LSDA+U+SOC energy problem
>
>Dear WIEN2k users，
>  After I did  a signle calculation of LSDA+U+SOC. In the output file, where
>can i find energy about soc part.
>
>
>Thanks for your kind attention, best of all.
>
>--
>
>Yours sincerely,
>
>Ke Yang 
>
>Department of Physics, Fudan University
>Handan Road 220, Shanghai 200433, China
>Email: keyang15 at fudan.edu.cn
>
>
>
>
>
>