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green function energy range GEnRnge

Posted: Wed Oct 24, 2018 4:45 am
by Weiqing Zhou
Hi all,

I want to do a GW green function calculation (yambo -g g). I set green function energy range by GEnRnge, f.e -2.0|0.5| eV.
After calculation, I find energy range in output file is not the range I set in GEnRnge. This change makes data difficult to be plotted. Is it possible to fix the green function energy range in output file with each k-point and band?

Weiqing Zhou

Re: green function energy range GEnRnge

Posted: Wed Oct 24, 2018 9:33 am
by Daniele Varsano
Dear Weiqing,
the energy range you set is centered around the E_nk energy you are calculating the QP correction.
If it is just a matter of plotting you can subtract the KS energy to each file and plot them in the interval you set.

Best,
Daniele