BUG: ivdw not included in INCAR parameters

[materialsproject]

BUG: ivdw not included in INCAR parameters

[utf]

Yes, I'd definitely support this!

I think its also a good idea to do the same thing in VaspInputSetGenerator, in particular here:

atomate2/src/atomate2/vasp/sets/base.py

Line 509 in 7065ce3

prev_incar = vasprun.incar

[Andrew-S-Rosen]

Great! I can work on a PR for this in the near future 👍

[mkhorton]

@arosen93 have you submitted a bug report to VASP?

[Andrew-S-Rosen]

I just posted a very brief comment on the forum.

[mkhorton]

Oh, I see it! Pasting a link here for future reference: https://www.vasp.at/forum/viewtopic.php?f=3&t=18465

[Andrew-S-Rosen]

@mkhorton -- My reply with details isn't visible yet, but it turns out this is an issue that was resolved in a recent version of VASP, so the bug is no longer present thankfully. The bug is in VASP 5.4.1 but not 6.3.0.

@utf -- With this being said, would you prefer to still read the INCAR flags from vasprun.xml or the INCAR?

[utf]

It's up to you. But I think enough people are using 5.4.1 that it could be useful still.

[Andrew-S-Rosen]

Since it's resolved in VASP, I'm going to close the issue for now since I'm unfortunately a bit overloaded at the moment. If it's a problem for anyone else though, they'll know this is here!