How can I calculate band gap
Moderators: Global Moderator, Moderator
How can I calculate band gap
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.
Last edited by lvchen on Thu Nov 29, 2007 5:04 am, edited 1 time in total.
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Re: How can I calculate band gap
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP