Question / potential feature request: obtain band structure from vasprun.xml instead of PROCAR about effmass HOT 4 CLOSED

Not a stupid question at all - this would make a lot of sense for the reasons you outline. The only reason it isn't implemented is because I haven't had the time to do so (and effmass should make much more use of the excellent pymatgen library). I'm in the middle of thesis writing, so can't take on any feature requests until August/September time when thesis handed in - I'll label the issue as enhancement, and if someone else wants to work on it before I get a chance to they are very welcome. Thanks for raising the issue - Lucy

from effmass.

Hi @smheidrich you raised this a while ago, but just a quick update that the latest Pull Request (#37) has support for (multiple) vasprun.xml files. After some testing this will be pulled into the main branch in the next week or so.

from effmass.

Excellent, thank you very much & good luck with your thesis!

from effmass.

@lucydot Great, thanks! 👍

from effmass.