What is the unit for free energy given in file YY.fe_XX?

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AgentZero
Posts: 44
Joined: Tue Jul 05, 2016 8:41 am
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What is the unit for free energy given in file YY.fe_XX?

Post by AgentZero »

Dear EPW experts,

I have some questions associated with the free energy calculation in EPW.

What is the unit for free energy given in file YY.fe_XX? Is it Ry/Cell?
According to the Eq.(46) given in CPC 209, 116-133 (2016), the free energy difference
between the superconducting and normal states is proportional to the temperature T.
Does this mean that the energy difference will be zero at 0 K? Is it possible to calculate
the energy difference at 0 K?

Thanks for your time and response!

Best wishes,
Miao Gao
roxana
Posts: 172
Joined: Fri Jan 22, 2016 6:48 pm
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Re: What is the unit for free energy given in file YY.fe_XX?

Post by roxana »

Hi,

The units for free energy is eV.

You cannot evaluate qe (46) numerically at 0 K because the temperature also enters in Z, Z_N, and Delta through the Matsubara frequencies.

Best,
Roxana
Roxana Margine
Associate Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York
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