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What is the unit for free energy given in file YY.fe_XX?
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AgentZero
Joined: Tue Jul 05, 2016 8:41 am
Posts: 33
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 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
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| Sun Jul 21, 2019 2:46 pm |
 
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roxana
Joined: Fri Jan 22, 2016 6:48 pm
Posts: 144
University: SUNY-Binghamton
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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
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| Sat Jul 27, 2019 7:13 am |
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