[Wien] Dependence of optical phonon modes on functional used

Laurence Marks L-marks at northwestern.edu
Thu Mar 24 21:35:14 CET 2016


I am interested in any information/links/citations to how much calculation
of optical phonon modes in ionic oxides depend upon the functional used
(LDA/GGA/mBJ etc). Thanks in advance.

-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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