temperature in two groups of atoms

Fernan Saiz fsai... at gmail.com
Tue Nov 8 13:29:22 CET 2016


Hello,
I wonder if it could be possible to set two different temperatures for two 
groups of atoms that are in contact by a flat interface in cp2k.

Thanks,
Fernan Saiz, Ph.D.
Department of Chemistry
Imperial College London

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