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Published 20 hours ago • verified publisher icon lucydot

Effmass interface with Pymatgen

Open lucydot opened this issue 3 years ago • 2 comments

Have Effmass interface with pymatgen. This should enable effmass to work with the various codes that pymatgen can parse (which doesn't include Castep, hence separate issue #24). I think this would fix issue #16 and #19 as pymatgen can work with vasprun.xml and Quantum-espresso (pwscf).

lucydot avatar Mar 08 '21 21:03 lucydot

Hi!

Does Effmass support supercell band data (band folding) processing?

I already do the band unfolding of supercell by using BandUp program, now how to use Effmass to deal with the unfolded band structure data?

cai-xiaomeng avatar Dec 23 '21 07:12 cai-xiaomeng

Hi @cai-xiaomeng -

I've created a new issue for this as your question is not related to an effmass interface with pymatgen - the issue is here: #52

lucydot avatar Jan 10 '22 08:01 lucydot