actually, i used only 300 k-points and this specific problem arose when i
tried to select k-path for band structure calculations.
my system has monoclinic symmetry so there are a couple of special points
in k-path i wanted to adopt with coordinates like (0.64xxx, 0.32xxx, 0.5).
i selected the total
What large values did you use in xcrysden for the multiplier and
k-points? Someone else might be able to comment on whether you can use
smaller values and still get accurate results.
I see your posts on the xcrysden mailing list:
http://www.democritos.it/pipermail/xcrysden/2012-July/001215.htm
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