[Pw_forum] K_points

[raha khalili]

Dear Users

I want to relax a molecule in X-Y plane. What is the best k-point for my
caculation? What the diference between 2 2 1 1 1 0 and 2 2 1 1 1 1?

Best Wishes

-- 
Khadije Khalili
PhD Student of Solid-State Physics
Nanothechnology group, University of Mazandaran, Babolsar, Iran
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