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


_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to