[ase-users] Request for new feature-effective mass

[Ask Hjorth Larsen]

Dear Uma,

Am Fr., 26. Juni 2020 um 07:58 Uhr schrieb Uma Mahendra Kumar K via
ase-users <ase-users at listserv.fysik.dtu.dk>:
>
> Dear ASE developers,
>
>
>                        Request for new feature. I am wondering about the possibility of adding "calculation of effective mass" as a new feature in ASE -band structure.
>
>
> There are few codes written in pure python like
>
> emc.py
> effmass
> sumo
>
> The above codes are written for majority VASP support and certain amount of support from pymatgen.
>
> A large part which is coming from pmatgen (necessary of eff. mass calculation )is already available in ASE.
>
>
> I don't know how big/large this task is, but can be a nice and convenient feature.

Can you post the specific effective mass formula you're looking for?

Best regards
Ask