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[Maryam jamali <mar_jamali@yahoo.com>]

Dear Matthieu,

 

Thanks for your help and advice.

You told that “it is advised to have at least to band more than the number you want”. But I think there is a problem: There are 32 carbon atoms so to get band structure around valance band, at least 200 bands (6´32+x) must be obtain. It takes too time. Is there another way?

 

Best Regards

 

Maryam Jamali

--- On Tue, 11/4/08, Anglade Pierre-Matthieu <anglade@gmail.com> wrote:

From: Anglade Pierre-Matthieu <anglade@gmail.com>
Subject: Re: [abinit-forum] plot band structure
To: mar_jamali@yahoo.com
Date: Tuesday, November 4, 2008, 6:59 PM

Hi,

Don't forget that :
- the pseudopotentials you use determine the lowest band you are
actually computing
- it is advised to have at least to band more than the number you want
to plot because those may not be perfectly accurate.

Yet in the end you can plot band structure with any drawer you like
(for instance http://plasma-gate.weizmann.ac.il/Grace/) and within any
calculated range that you have computed.

regards

PMA

On Mon, Nov 3, 2008 at 9:10 PM, Maryam jamali <mar_jamali@yahoo.com>
wrote:
> Dear all,
>
>
>
> I am going to compute band structure in the interval of, for example,
> between 5 and -5 ev. I do not know how to restrict my calculation between
> desired intervals.
>
> Is that possible to graphically present band structure?
>
>
>
> Thank you in advance
>
>
>
> Best Regards,
>
> Maryam Jamali
>



-- 
Pierre-Matthieu Anglade