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TRIQS / dft_tools

Interface to DFT codes
https://triqs.github.io/dft_tools
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Fixed SumkDFT.calc_dc to be consistent with and without SOC #227

Closed merkelm closed 2 years ago

merkelm commented 2 years ago

Formulas needed adapted shell dimension and summing over spins with SOC.

For DC type 0, only the DC energy is affected, whereas for DC type 1 and 2, both DC potential and energy are affected.