Linking with BoltzTraP2

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Pasan Henadeera

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Jun 14, 2021, 9:57:35 AM6/14/21
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Dear all, 
I recently came across the BoltzTraP2 software "IMC : BoltzTraP2 (tuwien.ac.at)" which seems to be capable of evaluating the Seebeck coefficient using results provided by other DFT software packages. However, even though a tutorial to link BoltzTraP with Siesta is available "siesta · Wiki · Jesús Carrete Montaña / BoltzTraP2 · GitLab", I could not figure out a way to use CP2K. Has anyone done this before? Are there any alternatives to obtain the Seebeck coefficient and the electrical conductivity?


Thank you
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