[Pw_forum] Fw: Fermi Energy

[Lorenzo Paulatto]

On 03/13/2014 09:24 AM, mohammad moaddeli wrote:
>
>
> On Wednesday, March 12, 2014 6:21 PM, mohammad moaddeli 
> <mohammadmoaddeli at yahoo.com> wrote:
> Dear all,
>
> There is about 2 eV difference between the Fermi energy in scf and 
> nscf calculations.
> What does it mean exactly?

just ignore the one from nscf: it is not computed correctly (this is 
fixed in the development version of pw.x)

> -- 
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> +33 (0)1 44 275 084 / skype: paulatz
> http://www-int.impmc.upmc.fr/~paulatto/
> 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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