[Pw_forum] K_POINTS automatic

[Lorenzo Paulatto]

On 3 December 2012 09:14, zahra vatankhah <vatankhah.z at gmail.com> wrote:

> each option (111 or 000) gives different fermi energy, which one is the
> correct fermi for the structure?
>
>
Dear Zahra,
the value Fermi only makes sense relative to the bands structure; if you
set the Fermi energy as zero, than the band structure should be the same in
the two case.

bests


-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
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