[Wien] To LO or not to LO ?

L. D. Marks L-marks at northwestern.edu
Mon Nov 29 17:23:24 CET 2004


Does the variational principle hold for adding more APW+lo and/or LO
functions, with the caveat that nothing nuts (e.g. ghostbands) should
appear?

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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
email: L - marks @ northwestern . edu
http://www.numis.northwestern.edu
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