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anharmonic / d3q

D3Q + thermal2
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Implementation of the Wigner conductivity formula #10

Closed MSimoncelli closed 1 year ago

MSimoncelli commented 1 year ago

discussed in Simoncelli, Marzari, Mauri, Nature Physics volume 15, pages 809–813 (2019) and in https://doi.org/10.48550/arXiv.2112.06897

paulatz commented 1 year ago

All seems right, I'll pull it and run some test on my PC before doing a release. cheers