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.
Quasi-particle lifetimes / discription of GW output files
Moderators: maryam.azizi, bruneval
Re: Quasi-particle lifetimes / discription of GW output file
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
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
Virginia Tech
USA
Re: Quasi-particle lifetimes / discription of GW output file
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
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
Re: Quasi-particle lifetimes / discription of GW output file
the proper version to abinit, and also build your pseudopotentials or PAW data sets with libxc and the xc functional you want.
gclub
gclub