[Wien] Self Interaction Correction (SIC)

[Tran, Fabien]

?Hi,

None of these two SIC methods? is implemented in WIEN2k, and neither for core nor valence electrons.

For the core electrons, there is currently no other methods besides LDA, GGA and mBJ.

For which purpose do you need SIC for core electrons?


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From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Wanderson Lobato Ferreira <wlferreira at usp.br>
Sent: Tuesday, November 17, 2020 5:49 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] Self Interaction Correction (SIC)

Dear users, how to apply the SIC of Lundin and Eriksson (LE-SIC) or of Perdew and Zunger (PZ-SIC) to the core states.
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