Dear Dr. P. Blaha and Wien2k users,
I am learning WIEN2K and trying to calculate a material with a small gap about
10 meV. We want to get the value of the gap to be as accurate as possible and
we have tested the convergence of K-mesh, the value of the gap barely changed
with the increase of K
Dear Dr. P. Blaha and Wien2k users,
I am trying to calculate a material with a very small gap about 10 meV, and I
want to get the value of the gap to be as accurate as possible.
How should I do it? For example, what setting parameters should be set? I know
I should use a large K-mesh and set th
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