Hi all,
When I do G0W0 calculation, I find there are two parameter relative with Green's function damping, namely DmRngeXd and GDamping. Should I set them both? Is there any conflicts between them?
Best,
Weiqing
GDamping and DmRngeXd
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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Weiqing Zhou
- Posts: 48
- Joined: Thu Sep 06, 2018 7:57 am
- Location: Wuhan University
GDamping and DmRngeXd
Weiqing Zhou
Phd student
Wuhan University
Wuhan, Hubei, 430072
Phd student
Wuhan University
Wuhan, Hubei, 430072
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Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: GDamping and DmRngeXd
Dear Weiqing,
the damping of the Green function for a GW calculation is set by GDamping, while DmRngeXd is a variable that controls the variation of the damping in the calculation of the response function needed for the screening. Note the latter is considered only for a full frequency calculation. In most of the cases, you can leave them as default 0.1eV.
Best,
Daniele
the damping of the Green function for a GW calculation is set by GDamping, while DmRngeXd is a variable that controls the variation of the damping in the calculation of the response function needed for the screening. Note the latter is considered only for a full frequency calculation. In most of the cases, you can leave them as default 0.1eV.
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/