[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?

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