[Pw_forum] Technique for converging Ecut and K-points?
Ben Palmer
benpalmer1983 at gmail.com
Sat Feb 23 20:55:51 CET 2013
Hi everyone,
I just wanted to ask if users have any techniques for choosing ecut and
k-points? I've read that one way would be to start with a high number
of k-points and high energy cutoff, and use that energy as an almost
true value. Then adjust k-points and energy cutoff from a lower
number/cutoff until it converges to the true value. Would you try to
converge energy cutoff first, or k-points? Does it matter which you
converge first?
Thanks
Ben Palmer
Student @ University of Birmingham
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