[Pw_forum] bulk projected band structure

xirainbow nkxirainbow at gmail.com
Sat Apr 30 05:40:32 CEST 2011


Dear Ming:
I have less experience in bulk projected band structure.
I think you can do scf calculation with less k-points in three directions.
Then switch to nscf calculation for dense k-points in z-direction, similar
with dos calculation.

On Sat, Apr 30, 2011 at 11:34 AM, wenmei ming <iphyboy at gmail.com> wrote:

> Dear all,
>
> I'm going to plot bulk projected band structure on a 2D BZ. I'm
> guessing(take x-y plane 2D for example) for every k point in xy plane (K_x,
> k_y, 0.0) I have to calculate all other energies with different k_z. By this
> way the final energy band structure with K index only on xy plane is
> so-called bulk projected band structure. But one problem for this I need to
> specify too much k-points, so I am wondering if there is a more efficient
> way to do this? Can someone share your experience in this?
>
> Thanks so much in advance.
>
> Jack Ming
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110430/346ebdbb/attachment.htm 


More information about the Pw_forum mailing list