[Wien] Born charges with hybrids?

[Fecher, Gerhard]

some comparison of LDA, HF and B3LYP is found in
O. E. Kvyatkovski Ab Initio Calculations of Born Charges in Ferroelectrics with a Perovskite Structure
Physics of the Solid State, 2009, Vol. 51, No. 4, pp. 797–80



Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [laurence.marks at gmail.com]
Gesendet: Montag, 10. August 2020 23:00
An: A Mailing list for WIEN2k users
Betreff: [Wien] Born charges with hybrids?

Has anyone run across calculations of Born charges using hybrids (e.g. HSE)? Maybe they are buried somewhere, or this is just not an area people have worked on....

(N.B., I do not mean Born charge calculations with Wien2k & hybrids.)

--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu<http://www.numis.northwestern.edu/>
Corrosion in 4D: www.numis.northwestern.edu/MURI<http://www.numis.northwestern.edu/MURI>
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody else has thought"
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