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user1271772
9:52 PM
@B.Kelly Just following up on my question above! Is there something about GPAW that you would find more attractive than Quantum ESPRESSO, when it comes to open-source plane-wave DFT calculations? Is it just that GPAW is more Python friendly?
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GPAW
wiki.fysik.dtu.dk/gpaw
density-functional-theory
gpaw
plane-waves
plane-waves
projector-augmented-wave
pseudopotentials
python
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