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

Jess Kondor kondor.jess at gmail.com
Tue Jun 5 22:43:42 CEST 2007


Dear users,

 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?

cheers,


----
=====================================
Jess Kondor

PICYT, Av. Venustiano Carranza 2425-A,
San Luis Potosí 78210, México
=====================================
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070605/a51a89aa/attachment.html>


More information about the users mailing list