how to make the DOS line smooth
Moderators: Global Moderator, Moderator
-
arnt
- Newbie
- Posts: 3
- Joined: Wed Aug 20, 2008 1:36 pm
how to make the DOS line smooth
The smoothness of DOS is controlled by SIGMA and NEDOS parameters. In principle, if you are upset by the changed Fermi level, you may set it manually, i.e. shift back your DOS by the difference between the highest occupied state and the calculated Fermi level.
Last edited by arnt on Thu Jan 10, 2013 8:54 pm, edited 1 time in total.
-
maartendft
- Newbie
- Posts: 38
- Joined: Sun Feb 07, 2010 7:17 pm
- Location: The Hague, Netherlands
how to make the DOS line smooth
I usually use a primitive cell wit very high number of kpoints to obtain a smooth DOS.
Last edited by maartendft on Thu Jan 17, 2013 8:15 pm, edited 1 time in total.