band-gap-problem

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kunyuan / EFT-ARPES-bench

Benchmark database (gaps + ARPES bandwidths) for testing electronic-structure methods on the band-gap problem. 13 materials (8 semiconductors + 5 simple insulators) with experimental data and LDA/HSE06/PBE0/GW reference values. Companion harness for the EFT dual-fermion pseudopotential extension.

benchmark dft julia eft semiconductors arpes insulators gw-approximation band-gap-problem hse06

Updated May 2, 2026
Julia

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