[Wien] Bandstructure with SO

[delamora]

Dear Gavin,
Thank you, the second;
[2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13143.html
of some "Pablo de la Mora" gave me the answer
Pablo
________________________________
De: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Gavin Abo <gabo13279 at gmail.com>
Enviado: lunes, 9 de mayo de 2022 08:49 p. m.
Para: wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
Asunto: Re: [Wien] Bandstructure with SO


The WIEN2k updates page [1] has:


VERSION_21: 10.4.2021

...


• SRC_spaghetti: bz_lin.f: consistent use of toler (fixing additional black lines)


Have you tried WIEN2k 21.1 having the above band structure black lines fix?


You might also have to be careful with the band structure commands with there being differences for the SOC case [2,3].


[1] http://www.wien2k.at/reg_user/updates/

[2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13143.html

[3] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12338.html


On 5/9/2022 4:41 PM, delamora wrote:
Dear Wien community,
I am doing a calculation with SOC, and when I try to plot the band structure without SOC
spaghetti -p -up
 it looks fine

but when I put it with SOC
spaghetti -p -up -so
I get a bandstructure with many vertical lines

Is there a way to fix it?
(WIEN2k-19.1)

Thanks

Pablo
===============
I sent a message with a bandstructure, and it was too big
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