[Wien] character plot, crystallography related and min_lapw

Gavin Abo gsabo at crimson.ua.edu
Thu Oct 11 03:49:33 CEST 2018


Sorry, a mistake in the previous post, but info at link is correct.  In 
other words:

Check in case.insp that "line switch" is set to 2 and try increasing the 
"size of heavier plotting" (much larger than the default value of 0.2 
from SRC_templates and/or jsize in section "3.11.5 Bandstructure with 
band character plotting / full lines" on page 27 of the WIEN2k 18.2 
usersguide).

Corrected wording below.

On 10/10/2018 7:29 PM, Gavin Abo wrote:
>> 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 "size of heavier plotting" 
> 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 "size of heavier plotting" value?
>
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