[Wien] Bandstructure with SO

[Gavin Abo]

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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