Hi,
I was wondering if any body knows 0.05*2Pi Angstroms-1 interval in reciprocal space equals to how many k-points. I found this number in an article and I want to figure out how many k-points they used.
Thanks a lot for any help!
reciprocal space
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abmo
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reciprocal space
Last edited by abmo on Wed Nov 23, 2011 1:55 pm, edited 1 time in total.
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liuhongfei
reciprocal space
Hi, abmo
if the lattice constant is a = 4 angstrom, we can get the b = 0.25*2pi Angstrom-1 in reciprocal space. so, after b is divided into five equal portions, you can get the desired results.
goog luck
<span class='smallblacktext'>[ Edited Thu Nov 24 2011, 11:54AM ]</span>
if the lattice constant is a = 4 angstrom, we can get the b = 0.25*2pi Angstrom-1 in reciprocal space. so, after b is divided into five equal portions, you can get the desired results.
goog luck
<span class='smallblacktext'>[ Edited Thu Nov 24 2011, 11:54AM ]</span>
Last edited by liuhongfei on Thu Nov 24, 2011 11:53 am, edited 1 time in total.