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Hessian efficient
- #23
#23
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Mar 25, 2026
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Hessian efficient
#23
mesonepigreco
merged 17 commits into
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SSCHAcode/tdscha:main
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hessian_efficient
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Commits on Mar 18, 2026
Add Q-space Lanczos module exploiting Bloch momentum conservation
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Add documentation for Q-space Lanczos module
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Add Q-space Lanczos example: SnTe spectral function at X point
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Now it works the q space
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Prepared for the next version
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Commits on Mar 19, 2026
Added the QSpaceHessian
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Commits on Mar 21, 2026
Fixed most of the bugs of the q-space implementation.
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Fixed the error on q points that maps -q not into themselves
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Added the new version 1.7.0
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Add QSpaceHessian documentation page
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Add test for IR perturbation modulus consistency between real-space and q-space Lanczos
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Add Raman perturbation methods to QSpaceLanczos and corresponding tests
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Commits on Mar 23, 2026
Exploit mode degeneracy (Schur's lemma) to reduce GMRES solves in QSpaceHessian
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Exploit Hermitian symmetry in free energy Hessian for q-pair blocks
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Commits on Mar 24, 2026
Add ignore_v3 and ignore_v4 flags to QSpaceHessian
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Fix compute_ir.py example: restore final_dyn parameter and conditional logic
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Commits on Mar 25, 2026
Added a new example
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