[Pw_forum] Fermi energy in 'scf' and 'nscf'

Paolo Giannozzi giannozz at nest.sns.it
Wed Jun 6 09:30:39 CEST 2007


On Jun 5, 2007, at 22:43 , Jess Kondor wrote:

>  I performed 'scf' and 'nscf' calculations with 'm-v' smearing  
> method. In the end of both calculations, the Fermi energy is the  
> same. But if these calculations are performed using 'tetrahedra',  
> Fermi levels are different ( 5.05 eV from 'scf' and 3.86 eV from  
> 'nscf'). Is it normal?

are the grid for scf and nscf the same? are you getting the same
Kohn-Sham eigenvalues?

P.
---
Paolo Giannozzi, Democritos and University of Udine, Italy





More information about the users mailing list