J. George comments

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                                            J. George

VASP rule: if `LELF=True` then `NPAR=NCORE=1`

This is the patch, btw: https://github.com/Chengcheng-Xiao/VASP_LOL

ModuleNotFoundError: No module named 'pymatgen.plotting'

Dear @xiaowangfeng , It feels like a lot of code is actually missing to do the required tasks. There are tutorials around the MP that you might find helpful: https://youtube.com/playlist?list=PLTjFYVNE7LTi6kGvPAF7DDQYj0KDL-vQL&si=w8y5_SacASkgo9pG...

ModuleNotFoundError: No module named 'pymatgen.plotting'

I very well understand this. This is why I am pointing to the tutorials that have been made for the purpose and the forum that can be used to ask...

[WIP] Add a VASP handler for too high NBANDS

I have also seen problems with this: convergence issues in general and also weird VASP failures.

VASP command with more than 1 line

It's not working to provide a command longer than 1 line with popen.

VASP command with more than 1 line

Would this work in combination with a typical configuration file?

Store files as output

Yeah, I agree with the file transfer problem. As someone who copies WAVECARs in workflows, I would like to ask for an option to just pass a directory path. 😅

Store files as output

> @JaGeo @davidwaroquiers I agree that this shouldn't replace the `prev_dir` option in atomate2. Passing a folder will be much more efficient for most purposes. > > However, I think...

Logo needed!

Very cool! 😃

Logo needed!

@davidwaroquiers I also prefer the 2nd one. I think it looks great. I also agree with @utf 's comments.