[Wien] Accurate calculation of small band gaps

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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-mesh. The difference between our calculated results of RK=7 and RK=9 are also very small, while our convergence accuracy is also very high. Are there other parameters that can be set to increase the accuracy of the calculation? It will be also great if you can tell us any example about density-functional calculation successfully predicts the band gap around 10 meV.  So that we can take that as the benchmark to test. We can also cite that reference in our future publications.


Thank you,
Xiangyan Bo





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