Dear all,
1. My system is an insulator, but the bands in the conduction band have shifted below Fermi energy around (-0.6581). The gap which i have obtained is correct when compared to the other systems. How can i shift in INCAR file.
2. When I calculated optical properties of the same system the optical band gap have shifted, how can i solve this.
Raman has already given the best answer. However, if you do not want involve in the subtracting process, you can use some other packages which will do this automatically for you.
SUMO is a good example of this kind. You'll need a linux enviornment for installing this.
https://sumo.readthedocs.io/en/latest/sumo-dosplot.html
As Raman suggested subtracting the Fermi energy (written out in DOSCAR file) from all the energy levels should be able to fix your problem.
Hi,
Step by step process of accurate (both total and projected) DOS and band structure calculations using VASP and some ways of plotting the band structure and DOS of our system is explained in a Youtube video.
The link is:
https://www.youtube.com/watch?v=RYziHtNFaPs
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