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

[Uma Mahendra Kumar K]

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<https://github.com/afonari/emc>
  *   effmass<https://github.com/lucydot/effmass>
  *   sumo<https://github.com/SMTG-UCL/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.


Mahendra


============================
Dr. Uma Mahendra Kumar
Asst  Professor of Physics
School of Advanced Sciences
VIT University-Vellore 632 014
Bharat
VIT-Recognized as an Institution of Eminence (IoE),
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