About the Fermi energy in VASP
Posted: Tue Jul 05, 2011 6:25 am
Hi all,
I have some questions regarding the Fermi energy.
1. There are actually two Fermi energy after vasp run. One is in the DOSCAR while the other is in OUTCAR file. They are close but not same. Does anyone know why?
2. When I compare the result of SIESTA and VASP for same structure, I find the Fermi energy from VASP is much lower than the result of SIESTA. In SIESTA, I set the label "ElectronicTemperature" to 300K; however, in VASP I don't find the corresponding setting. Can somebody explain this?
Thanks a lot.
I have some questions regarding the Fermi energy.
1. There are actually two Fermi energy after vasp run. One is in the DOSCAR while the other is in OUTCAR file. They are close but not same. Does anyone know why?
2. When I compare the result of SIESTA and VASP for same structure, I find the Fermi energy from VASP is much lower than the result of SIESTA. In SIESTA, I set the label "ElectronicTemperature" to 300K; however, in VASP I don't find the corresponding setting. Can somebody explain this?
Thanks a lot.