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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).
The text was updated successfully, but these errors were encountered:
lucydot
changed the title
Pymatgen
Effmass interface with Pymatgen
Mar 9, 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).
The text was updated successfully, but these errors were encountered: