[Wien] character plot, crystallography related and min_lapw
Gavin Abo
gsabo at crimson.ua.edu
Thu Oct 11 03:29:23 CEST 2018
> 1) I tried to plot band character by editing case.insp as explained in
> the user guide, but band character for the selected orbital is not
> showing. I run a TiC example as test-case and it works fine, what
> could have been the problem?
The band character plot using the default "line switch" of 0.2 works
well for TiC but it does not always work well for other structures [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16414.html
]. Have you tried increasing the "line switch" value?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20181010/0f893498/attachment.html>
More information about the Wien
mailing list