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
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