How can I calculate band gap
Posted: 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.
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.