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physics.comp-ph2022★ 32 cited
SporTran: a code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series
Loris Ercole, Riccardo Bertossa, Sebastiano Bisacchi +1
SporTran is a Python utility designed to estimate generic transport coefficients in extended systems, based on the Green-Kubo theory of linear response and the recently introduced…
physics.comp-ph2021★ 12 cited
QEHeat: An open-source energy flux calculator for the computation of heat-transport coefficients from first principles
Aris Marcolongo, Riccardo Bertossa, Davide Tisi +1
We give a detailed presentation of the theory and numerical implementation of an expression for the adiabatic energy flux in extended systems, derived from density-functional theor…