| Re: bccFe, the Fermi level is error? ( No.1 )|
- Date: 2008/06/11 11:57
- Name: T.Ozaki
The Fermi level largely depends on the basis function used.
So, it would be better to see how the Fermi level is changed by
the cutoff radius and the number of basis funtion.
Also, since OpenMX determines the Fermi level by occupying electrons
according to the Fermi distribution function, the determined Fermi
level also depends on electric temperature.
| Re: bccFe, the Fermi level is error? ( No.2 )|
- Date: 2008/06/12 09:47
- Name: Yonghong Zhao <firstname.lastname@example.org>
- Dear Prof. Dzaki,
Thank you very much for your help. Now I have got right DOS of bccFe. It really depends much on the cutoff of PAOs.