Can sumo works with the KPOINTS_OPT and PROCAR_OPT?

[Juo-kim]

Hi,

I'm using sumo as a bandstructure plot tools for vasp calcualtion.
Recently, after vasp.6.3 >, KPOINTS_OPT was implemented for single shot HSE calculations and the wave functions of calculations saved in PROCAR and PROCAR_OPT each.

I want to ask that sumo could use for the KPOINTS_OPT based band structure calculations?

Thank you

[ajjackson]

It's not explicitly supported yet. I guess the first thing we need to know is whether Pymatgen supports them already?

[Juo-kim]

Thank you for reply.

As I know, the Pymatgen already supports the KPOINTS_OPT.
At this link : https://github.com/materialsproject/pymatgen/blob/v2025.1.23/src/pymatgen/io/vasp/outputs.py#L904-L1085 ,
the Pymatgen's "get_band_structure" uses the KPOINTS_OPT as optional.
If Pymatgen supports the KPOOINTS_OPT and PROCAR_OPT, thus that means sumo also supports them? or you need additional update?

[ajjackson]

Sumo would still need an update, but it means it is more likely to happen 😄

[Juo-kim]

I got it.
Then I will wait for the update.
Thank you 😀