Quasi-particle lifetimes / discription of GW output files

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bmatt
Posts: 24
Joined: Tue Aug 27, 2013 9:46 pm

Quasi-particle lifetimes / discription of GW output files

Post by bmatt » Sat Oct 08, 2016 11:18 pm

Hello abiniters,
After a pretty exhaustive search, I am wondering if abinit outputs quasi-particle lifetimes during the GW calculations when optdriver=3 or 4?
I noticed after a completed run for optdriver=4, some output files are produced....xo_SIG, xo_SGR, etc...would one of these files contain the lifetime information? I understand that the imaginary portion of the self-energy predicts lifetimes, but I have no idea where abinit outputs this info.

ajitkv1
Posts: 3
Joined: Mon Feb 20, 2017 11:26 pm

Re: Quasi-particle lifetimes / discription of GW output file

Post by ajitkv1 » Mon Feb 20, 2017 11:28 pm

Hi Matt,

I am new to abinit and trying to find the lifetimes using GWA. Did you find answer to your question about where the abinit outputs the imaginary part of self energy ?

Thanks
Ajit
Ajit Kumar Vallabhaneni
Virginia Tech
USA

bmatt
Posts: 24
Joined: Tue Aug 27, 2013 9:46 pm

Re: Quasi-particle lifetimes / discription of GW output file

Post by bmatt » Mon Jul 24, 2017 8:45 pm

Just to clear up some issues that I had. I believe I found some of the answers I was looking for.
xo_SIG contains Re{Sigma}, Im{Sigma}, and the spectral function for each k-point, band, and energy value (from freqsp). The file is set up in the following format:
# k = X
# band from Y to Z
freq-point ... Re (band Y) ... Im (bandY) ... spectral function (bandY) ... up to band Z

harada57
Posts: 4
Joined: Wed Aug 09, 2017 6:24 am

Re: Quasi-particle lifetimes / discription of GW output file

Post by harada57 » Wed Aug 09, 2017 10:32 am

the proper version to abinit, and also build your pseudopotentials or PAW data sets with libxc and the xc functional you want.


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