[Wien] Orbital angular momentum band character

Gavin Abo gsabo at crimson.ua.edu
Mon Sep 4 17:37:27 CEST 2017


If you are asking about fat band plotting [1,2], there is section 
"3.11.5 Bandstructure with band character plotting / full lines" in the 
WIEN2k 17.1 usersguide [3].

Spaghetti-primavera on the unsupported page [4] might also be of 
interest for band character plotting.

[1] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15555.html

[2] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04128.html

[3] http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf

[4] http://susi.theochem.tuwien.ac.at/reg_user/unsupported/

On 9/4/2017 8:32 AM, pluto at physics.ucdavis.edu wrote:
> Dear WIEN2k experts,
>
> Is there an easy way to plot orbital angular momentum character of the
> bands? Here I mean for example px+ipy and px-ipy, and similar for d and f
> levels.
>
> Best,
> Lukasz


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