[Wannier] about WFs' display

Arash A Mostofi mostofi@MIT.EDU
Tue, 29 May 2007 11:26:06 -0400 (EDT)


Dear Ian

I don't think your attachment made it through to my inbox, but the 
problem you describe may be resolved by setting

wannier_plot_supercell = 3

in the Wannier90 input file.

Cheers

Arash

-----------------------------------------
Dr Arash A Mostofi
Dept of Materials Science and Engineering
13-4084 MIT
77 Massachusetts Avenue
Cambridge MA 02139-4307 USA
Tel: 617.2536026
-----------------------------------------

On Tue, 29 May 2007, lan haiping wrote:

> Dear All,
>
>  I am trying to display WFs with XCRSDEN, while there are some problems i
> cannot solve .
> Attached is one of my results,  the wf displayed is not full.  Would you
> please tell me how to obtain
> a full WFs display ? Are there some tricks to generate WFs ?  For my
> calculation , the wout file gave that  Im/Re==0,
> So, i confirmed that  there is no problem related with wannierise procedure.
> In addition , the interpolated bands are also
> consistent with PW results.
>
> By the way, is there any way to generate multi-WFs in a single xsf file ?
>
> Regards,
>
> H.P
>
>
> -- 
> Hai-Ping Lan
> Department of Electronics ,
> Peking University , Bejing, 100871
> lanhaiping@gmail.com, hplan@pku.edu.cn
>