[CP2K-user] Copper conductivity for different crystalline planes

MD Simulation mdsimula... at gmail.com
Wed May 22 18:18:25 UTC 2019


I would like to determine the conductivity for different planes in FCC 
copper.  Is this something that can be done within CP2K?

I'm new to this type of calculation so any advice would be appreciated! I 
am familiar with CP2K's MD capabilities and DFT with organic structures.

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