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B. Kelly
2:19 AM
@NikeDattani Only for trivial example problems. I haven't reached the stage quite yet where I will use plane-wave DFT, but likely soon.
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GPAW
wiki.fysik.dtu.dk/gpaw
density-functional-theory
gpaw
plane-waves
plane-waves
projector-augmented-wave
pseudopotentials
python
vasp
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