How to calculate the bands only near the Fermi level? |
- Date: 2023/02/27 23:56
- Name: wxkao
<ss87875987@gmail.com>
- Hi, author:
I have a question about calculating band structure of large systems. When there are lots of atoms in the system, there will be lots of bands as well. However, I am only interested in the bands near the Fermi level, because calculating too many bands may take too much time and most of them are not relevant to me. Is there a way to control the number of bands above Fermi level in your software? I know that quantumatk has a parameter called band_above_Fermi for this purpose.
Thank you for your help.
wxkao
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