[Wannier] about WFs' display
Arash A Mostofi
mostofi at MIT.EDU
Tue May 29 17:26:06 CEST 2007
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 at gmail.com, hplan at pku.edu.cn
>
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