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Posted: **Wed Mar 14, 2012 5:52 am**

Si bandgap according to the workshop (handsonII) comes as 0.6 ev. This is far from 1.12 ev. Does it need to incorporate anything more to get a good agreement?

Posted: **Fri Mar 23, 2012 5:18 am**

Dear Kuntalroy,
if you want to get correct electronic band structure, you have to use HSE functional.You can read [ PRL B 80,115205(2009)] for further detail

Posted: **Sun Mar 25, 2012 4:04 am**

Thanks. Is it possible to get the POTCAR file corresponding to HSE functional?