Predicting DFT band gaps from crystal structure
Predict the PBE band gap of a crystal in eV from its structure, over 106,113 Materials Project entries.
Pull requests
Pull requests bring work from one route into another; merging one adopts it.
Predict the PBE band gap of a crystal in eV from its structure, over 106,113 Materials Project entries.
Pull requests bring work from one route into another; merging one adopts it.