This is hardly surprising since X and Gamma are equivalent in your cell

stefano

On 02/08/2016 12:28, evan wrote:

Hello, everyone

I am studying the band structure of GaAs, but the results show that the band gap occurs at G and X points simultaneously, this is puzzled me. The input files and results are attached, you can show what is wrong in the input file.

Your suggestions are appreciated.

Yours sincerely

Evan

USC, China





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