[Wien] Charged cell & Wien energy

L. D. Marks L-marks at northwestern.edu
Tue Nov 29 17:30:01 CET 2005


I've always had some reservations about using the energy number that comes 
out of a charged cell calculation for anything. Since I did not find this 
discussed anywhere on the list, maybe someone can educate me as to whether 
it is useful (with perhaps some corrections) or to be avoided like the 
plague.

Note: if you have an old email address for me, please note that "nwu" has
been changed to "northwestern".
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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 at northwestern dot edu
http://www.numis.northwestern.edu
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