[Pw_forum] simple question about plotband.x

[Mehrnoosh Hazrati]

Dear Elias,

about your first question, i should say that the fermi energy can move the
limit of the energies you choose, so if you want to restrict the limit
between -2.1 and 2.1, you should sum min and max energy that you choose with
fermi energy (approximately).

I hope that it helps !

Regards
Mehrnoosh
On Fri, Jul 15, 2011 at 5:30 AM, Elie Moujaes <elie.moujaes at hotmail.co.uk>wrote:

>  Dear all,
>
> I am doing calculations on grain boundaries of graphene. When I use *
> plotband.x*  and restrict the limit of the energies between say -2.1 and
> 2.1 eV , The produced curve has limits between -2.7 and 1.8. Why is that the
> case? This is also affecting the graph in the sense that when I set the
> fermi energy as a reference , the dashed line at the zero is lower than the
> actual Fermi energy where bands intersect..See graph attached (in the graph
> the point 0.0 is lower than 0.3299 where the bands intersect). Howvere the
> general band structure is correct. How can I solve this problem
>
>
> Thanks
>
> Elias Moukaes
> University of Notts
> UK
> NG7 2RD
>
>
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>


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**** Mehrnoosh Kh. Hazrati ****
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