Dear wien2k users: There is a new tool available from our unsupported software page:
LinReTraCe (https://github.com/linretrace) by M. Pickem, E. Maggio and J. M. Tomczak. The "Linear Response Transport Centre" simulates transport properties of solids, capturing quantum (in)coherence effects beyond semi-classical Boltzmann techniques, while incurring similar numerical costs. The algorithmic innovation is a semi-analytical evaluation of Kubo formulae for resistivities and the coefficients of Hall, Seebeck and Nernst. A code description can be found in SciPost Phys. Codebases 16 (2023) (https://scipost.org/10.21468/SciPostPhysCodeb.16)
Best regards -- Peter Blaha, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 Email: [email protected] WWW: http://www.imc.tuwien.ac WIEN2k: http://www.wien2k.at _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
