I've never care about that. On Wednesday 2017-05-03 15:39, Laurence Marks wrote:
Date: Wed, 3 May 2017 15:39:23 From: Laurence Marks <l-ma...@northwestern.edu> 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] XC fit for mBJ I just had a look at *.output*grr* for an mBJ case, and noticed that the XC fit is best described as awful. Has anyone investigated whether, similar to -eece, a much larger spherical harmonic expansion should be used. Maybe it does not matter. -- 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 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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