The electronic and bosonic temperature

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

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sdwang
Posts: 287
Joined: Fri Apr 09, 2010 12:30 pm

The electronic and bosonic temperature

Post by sdwang » Wed Jan 02, 2013 8:52 am

Dear developers:
I am confused about the electronic and bosonic temperature in GW_input files. It seems in semiconductors, the default value of the two parameters are not ZERO. The two parameters related to the GW gap in my test.
Do you explain them?
Thanks!
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

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andrea marini
Posts: 325
Joined: Mon Mar 16, 2009 4:27 pm
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Re: The electronic and bosonic temperature

Post by andrea marini » Sat Jan 05, 2013 8:38 pm

sdwang wrote: I am confused about the electronic and bosonic temperature in GW_input files. It seems in semiconductors, the default value of the two parameters are not ZERO. The two parameters related to the GW gap in my test.
The bosonic temperature affects the plasmon population (in the screened interaction) and the phonon propagators. The latter ones are important for an electron-phonon calculation that will be possible shortly thanks to the new releases that will appear in occasion of the first Yambo school (next spring in Losusanne).

The electronic temperature, instead, will change the electronic occupations.

In the case of semiconductors both temperatures will have no effect as long as the temperature is not similar in size to the electronic gap.

To summarize you should not see any effect in your calculations at the moment.

Andrea
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)

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