[CPMD-list] Finite temperature (electron) DFT

Isaac Tamblyn itamblyn at dal.ca
Fri Jul 22 01:35:56 CEST 2005


Hello,

I can't seem to find the info on the website, so I'll ask a simple question
here:

Can CPMD do calculations where the electrons are not in the ground state? If so,
is this what is meant by Free Energy Functional?

Also, are there any examples/tutorials that cover this?

Thank you,

Isaac



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