[Wien] Pathalogical mixing case

L. D. Marks L-marks at northwestern.edu
Tue Mar 1 15:02:43 CET 2005


If anyone has a small problem (conventional, not one with off core
states etc) where reducing the PW scaling to 0.1 or less did not work and
you also had to reduce the mixing please send me (directly, not via the
wien list) the case.struct file. At some stage I'd like to test some ideas
for handling cases where the current mixing is not efficient, and these
would be useful.

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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 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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