[Wien] k-point sampling

[L. D. Marks]

I'm trying to do a couple of calculations where I want to keep consistency
between the k-points. One is in P2/m (#10), the other in B2/m (#12). In
P2/m the grid generated by kgen is a rectangle; in B2/m it is a triangle.
I must be missing something; in B2/m is the grid in terms of the primitive
cell or what?

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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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