[Wien] Orbital polarization correction

[tran at theochem.tuwien.ac.at]

Hi,

The steps are basically the same as for the LDA+U method.
You can find some detail in section 7.4 of the user's guide
and in this document:
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/orbital_potentials.pdf

FT

On Thursday 2018-07-26 12:15, Lokanath Patra wrote:

>Date: Thu, 26 Jul 2018 12:15:33
>From: Lokanath Patra <lokanath at students.cutn.ac.in>
>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] Orbital polarization correction
>
>Dear Wien2K experts,
>How to perform calculations for orbital polarization correction which
>enhances the orbital polarization?
>
>Best regards
>Lokanath
>
>--
>Lokanath PatraPh.D Scholar
>Dept. of Physics
>School of Applied and Basic Sciences
>Central University of Tamil Nadu
>Thiruvarur
>Tamil Nadu - 610004
>Ph no - +91-8675834507
>
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