Hello,
I am a new Yambo user, and I am trying to run a GoWo quasiparticles correction. What is the meaning of the NGsBlkXp variable, response block size?
Thanks,
Response Block Size
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, Daniele Varsano
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Response Block Size
Adrian Popescu
Postdoctoral Researcher
North Carolina Central University
Postdoctoral Researcher
North Carolina Central University
- Daniele Varsano
- Posts: 3828
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Response Block Size
Dear Adrian,
NGsBlkXp define the dimension of the inverse dielectric matrix \eps_GG' you need in the plasmon pole approximation to build up the screened Coulomb potential W_GG'.
You can have a look here or more in details Eqs.5 and the following equations in the yambo paper.
A. Marini et al. Comp. Phys. Comm. 180, 1392 (2009)
Best,
Daniele
NGsBlkXp define the dimension of the inverse dielectric matrix \eps_GG' you need in the plasmon pole approximation to build up the screened Coulomb potential W_GG'.
You can have a look here or more in details Eqs.5 and the following equations in the yambo paper.
A. Marini et al. Comp. Phys. Comm. 180, 1392 (2009)
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/
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- Posts: 2
- Joined: Fri Mar 04, 2016 6:49 pm
Re: Response Block Size
Hi Daniele,
Thank you for your reply. So if I correctly understand, the response block size is bounded by the total number of bands of the system?
Best,
Adrian
Thank you for your reply. So if I correctly understand, the response block size is bounded by the total number of bands of the system?
Best,
Adrian
Adrian Popescu
Postdoctoral Researcher
North Carolina Central University
Postdoctoral Researcher
North Carolina Central University
- Daniele Varsano
- Posts: 3828
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Response Block Size
Dear Adrian,
no, the blocks are in G-space and are not related with the number of bands.
I invite you to follow the equation and convince yourself.
You have a sum over states (bands) in order to build the X^0 response function, but the G components are only limited to the plane wave cutoff.
Best,
Daniele
no, the blocks are in G-space and are not related with the number of bands.
I invite you to follow the equation and convince yourself.
You have a sum over states (bands) in order to build the X^0 response function, but the G components are only limited to the plane wave cutoff.
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/