[Pw_forum] simple question about plotband.x

[Eric Germaneau]

Hey Elias,

You may not use enough points I think.
Try with more k-vectors to see.
Best,

        Éric.

On 07/14/2011 09:00 PM, Elie Moujaes 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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-- 
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. Éric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

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