[Pw_forum] K_POINTS automatic

[zahra vatankhah]

Dear Lorenzo,
Thanks for aswering, but the band structures and also the DOSs are
different in the two cases even if the Fermi energy is set to zero!

with regards,
Vatankhah
On Mon, Dec 3, 2012 at 12:28 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> 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/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
>
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