[Wien] Which k-point method?

L. D. Marks L-marks at northwestern.edu
Wed Oct 20 04:26:11 CEST 2004


With a surface with only a limited number of k-points (e.g. 14 unique, 236
non-unique) which is the "best" method; TEMP, GAUSS, TETRA (and which mode
of TETRA) or some other?

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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:L-marks at northwestern.edu
http://www.numis.northwestern.edu
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