[Wien] MgO Ghostbands - when do they matter

[L. D. Marks]

I am trying to run a set of calculations varying the
lattice parameter of MgO by -10 to +30%. I keep running
into ghostbands, with a QTL of around 1. At what level
does this matter. If anyone can suggest specific strategies
to try (not RKMAX, GMAX or the # of LM) I would be interested,
particularly if they are general.


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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:ldm at risc4.numis.northwestern.edu
http://www.numis.northwestern.edu
Nanocrystallography Workshop, http://ncem.lbl.gov/workshop.htm
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