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green-kubo

Here are 3 public repositories matching this topic...

sissaschool / sportran

A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermocepstrum"]

molecular-dynamics transport thermal-conductivity data-analysis spectral-analysis time-series-analysis heat-flux green-kubo cepstral-analysis sportran thermocepstrum

Updated Dec 27, 2024
Python

OBCsDRUDE

beddalumia / OBCsDRUDE

Repository for the work published in Phys. Rev. B 102, 205123 (2020) "Drude weight in systems with open boundary conditions"

band-structure plane-wave-expansion electronic-structure electrical-conductivity linear-response fourier-methods green-kubo kubo-greenwood drude-weight

Updated Aug 27, 2021
MATLAB

pyDrude

beddalumia / pyDrude

Repository for the Master-Thesis project on OBCs Drude weight (2019)

band-structure plane-wave-expansion electronic-structure electrical-conductivity linear-response fourier-methods green-kubo kubo-greenwood drude-weight

Updated Aug 27, 2021
Python

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