How can I calculate band gap

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lvchen

How can I calculate band gap

#1 Post by lvchen » Thu Nov 29, 2007 5:04 am

Dear Sr.

I am a beginner of VASP. I have very poor knowledge about this software. I made a test calculation by using simple INCAR file. After the calculation, I could not find band gap in OUTCAR file. Could you please tell me where and how I can get the band gap? and if I want to calculate band gap, is there any special setup in INCAR file before the calculation.
Thank you for your help in advance.
Last edited by lvchen on Thu Nov 29, 2007 5:04 am, edited 1 time in total.
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