[CP2K-user] Linking with BoltzTraP2

Pasan Henadeera henad... at gmail.com
Mon Jun 14 13:57:35 UTC 2021

Dear all, 
I recently came across the BoltzTraP2 software "IMC : BoltzTraP2 
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 
<https://gitlab.com/sousaw/BoltzTraP2/-/wikis/siesta>", 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 

Thank you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210614/e0a89892/attachment.htm>

More information about the CP2K-user mailing list