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What is the unit for free energy given in file YY.fe_XX? 
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Joined: Tue Jul 05, 2016 8:41 am
Posts: 33
Post What is the unit for free energy given in file YY.fe_XX?
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


Sun Jul 21, 2019 2:46 pm
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Joined: Fri Jan 22, 2016 6:48 pm
Posts: 144
University: SUNY-Binghamton
Post Re: What is the unit for free energy given in file YY.fe_XX?
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
PO Box 6000
Binghamton, NY 13902-6000


Sat Jul 27, 2019 7:13 am
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