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20192026
most citedPyProcar: A Python library for electronic structure pre/post-processing

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cond-mat.mtrl-sci2026

First-Principles Spin-Lattice Coupling from Downfolded Electron-Phonon Interaction

Xu He, Álvaro Adrián Carrasco Álvarez, Gian-Marco Rignanese +3

We present a method to calculate spin-phonon coupling parameters from first-principles perturbation theory by downfolding the electron-phonon coupling (EPC). We exploit the localiz…