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
green function energy range GEnRnge
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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green function energy range GEnRnge
Weiqing Zhou
Phd student
Wuhan University
Wuhan, Hubei, 430072
Phd student
Wuhan University
Wuhan, Hubei, 430072
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: green function energy range GEnRnge
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/