[Wien] Band Structure Plot

samaneh javan samjavan at gmail.com
Wed Jul 29 13:21:17 CEST 2009


Dear Debojyoti Mukherjee,
If you have xcrysden, then you can select the path in the first
brillion zone, if not then install this software from: A. kokalj,
Comp. Mat. Sci. 28 (2003) 155, http://www.xcrysden.org
It is awesome. You will get what you want more easily with more
concentration. If there was more problem I can explain for you step by
step.
Good luck
Samaneh Javan


On 7/29/09, Debojyoti Mukherjee <debojyoti.kunal at gmail.com> wrote:
> Dear Users,
>
>             I have done the scf calculation for omega phase of zirconium and
> now I tried to plot its band structure. For high symmetric positions the
> plot is ok, but I want to plot it along <gamma K M sigma gamma A S H L R A>
> and also <L U M> directions. Can anyone tell me how to do this?
>
> Regards.
>
> Debojyoti Mukherjee
>


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