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Effmass interface with Pymatgen #27

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lucydot opened this issue Mar 8, 2021 · 2 comments
Open

Effmass interface with Pymatgen #27

lucydot opened this issue Mar 8, 2021 · 2 comments
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enhancement New feature or request

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@lucydot
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lucydot commented Mar 8, 2021

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 lucydot changed the title Pymatgen Effmass interface with Pymatgen Mar 9, 2021
@cai-xiaomeng
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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?

@lucydot
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lucydot commented Jan 10, 2022

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 lucydot added the enhancement New feature or request label May 31, 2023
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