Support complex-Hermitian Green's functions in the multi-orbital solver#1
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Support complex-Hermitian Green's functions in the multi-orbital solver#1k-yoshimi wants to merge 1 commit into
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Allow complex off-diagonal G_ab(tau) / spectra (e.g. from spin-orbit coupling), so the semi-positive-definiteness of the full complex-Hermitian spectral matrix is enforced during continuation rather than dropping the imaginary part. - predict_Gtau: keep the dtype of rho_l so the complex off-diagonal G_ab(tau) is no longer truncated to its real part. - write_Gtau / write_rhol / write_rho: also write the imaginary part (0 for real data, backward compatible for readers of the first columns). Requires admmsolver with complex-Hermitian L1 / SPD support. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01TMeDqXABvd876kMmVY7K34
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Summary
Allows complex off-diagonal
G_ab(τ)/ spectra (e.g. from spin–orbit coupling), so the semi-positive-definiteness of the full complex-Hermitian spectral matrix is enforced during continuation instead of dropping the imaginary part.Changes
predict_Gtau(multi-orbital solver): keep the dtype ofrho_lso the complex off-diagonalG_ab(τ)is no longer truncated to its real part.write_Gtau/write_rhol/write_rho: also write the imaginary part (0 for real data; readers of the leading columns are unaffected).Dependency
Requires
admmsolverwith complex-HermitianL1/ SPD support (SpM-lab/admmsolver#1).Validation
An artificial two-orbital spectrum rotated by a complex unitary
U(θ, φ)(φ ≠ 0) is continued end-to-end: the complex off-diagonal and the Hermitian positive-semidefiniteness are recovered (previously the imaginary part was lost). Existing tests pass.🤖 Generated with Claude Code
https://claude.ai/code/session_01TMeDqXABvd876kMmVY7K34