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 <lokan...@students.cutn.ac.in> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <Wien@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 ____________________________________________________________________________ Central University of Tamil Nadu is in not responsible for the contents of this email. The sender takes responsibility for the content of this email. This mail is also governed by the relevant disclaimer policies of Central University of Tamil Nadu.
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