[Wien] XC fit for mBJ

[tran at theochem.tuwien.ac.at]

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-marks at northwestern.edu>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at 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
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