2 papers
cond-mat.mtrl-sci2026
Accurate calculation of Wannier centers, position matrix, and composite operators using translationally equivariant and higher-order finite differences
Jae-Mo Lihm, Minsu Ghim, Seung-Ju Hong +1
The momentum-space derivatives of Bloch wavefunctions are essential for studying quantum geometry and the equilibrium and response properties of solids. In practical first-principl…
cond-mat.mtrl-sci2025
Verification and Validation of zero-point electron-phonon renormalization of the bandgap, mass enhancement, and spectral functions
Samuel Poncé, Jae-Mo Lihm, Cheol-Hwan Park
Verification and validation of methods and first-principles software are at the core of computational solid-state physics but are too rarely addressed. We compare four first-princi…