[Wien] wien2wannier interface

Elias Assmann elias.assmann at gmail.com
Tue Mar 17 11:33:32 CET 2015


On 03/17/2015 09:58 AM, Kyohn Ahn wrote:
> Maybe I can share my experiences.
> I'm a user of v0.96.

Thank you for the report.  The problem is most likely related to 
‘xsfAll.sh’ looking for a string “_N” in the filename, where N is a 
number.  I believe this is already fixed in the new version, where 
‘wplot2xsf_lapw’ by default simply looks for all ‘*.psink‘ files, and 
does not care about the filenames except for the extensions.


	Elias


> The problem occurs when "_" exists in the filename.
> More specifically, the trouble appears when I tried to get Wannier plots.
> I think that the key is in either [prepare_plots.sh] or [xsfAll.sh].
> (I could not find any problem with other operations, such as
> write_w2win, write_win, w2w, ..., etc.)
>
> My filename was, for example, [SrVO3_super.~~~].
> Then the outputs (~xsf files, etc,) were strange.
>
> I deleted "_" in the name of input files,
> i.e., [SrVO3_super.~~~] → [SrVO3super.~~~].
> Then the problem disappeared.
>
> Have a nice day.!
>
> - Kyohn
>
>
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