Dear Dr. Rubel, I computed the effective mass of GaAs, but I did not get the result as mentioned in the article. Moreover, I did calculation in two ways 1. Just with x lapw1 and x lapwso 2. By generating kpath L-Gamma-X for 100 points (x lapw1 -band and x lapso). I found the results are different. What is the difference between the two calculations? Are they the same? Do they affect effective mass?
I may not understand or read the output results correctly. So please explain about the output to read. In the article it is written that 13 k points mean gamma point. How to know which k points mean which high symmetry point? In the case of an indirect band gap, VBM is at Gamma and CBM is at X. How to search for results in the output file in such a case? Please explain in detail about extracting data from output files. Thank you for your time. Best regards, Uchit Wien2k user
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