difference in NGsBlkXs, NGsBlkXp, NGsBlkXd

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

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JianjunYang
Posts: 6
Joined: Wed May 02, 2012 12:05 am

difference in NGsBlkXs, NGsBlkXp, NGsBlkXd

Post by JianjunYang » Fri May 25, 2012 7:18 pm

Dear All,
When I type in the command "yambo -g n -p p", I will get the input name of "NGsBlkXp= 1 RL # [Xp] Response block size". However, sometimes I get difference input names, say, NGsBlkXs or NGsBlkXd, for the same purpose. I am confused but cannot find the relevant explanation about that. Could anyone explain to me about the difference in the meaning of these three names (NGsBlkXp, NGsBlkXd,NGsBlkXs)?

Thanks a lot!
Jianjun
Jianjun Yang
Department of Physics and Engineering Phyiscs
University of Saskatchewan, Canada

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: difference in NGsBlkXs, NGsBlkXp, NGsBlkXd

Post by Daniele Varsano » Sat May 26, 2012 10:42 am

Dear JianJun,
as you said, all the variables have the same purpose, but the name
of the variable depend on the kind of calculation you want to run.
The las letter stands for:
s = static (eps-1 is calculated for omega=0 only)
d= dynamic (eps-1 full dynamic)
p= plasmon pole (eps-1 at omega=0 and imaginary plasmon frequency).

Hope now it is clear,

Cheers,

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/

JianjunYang
Posts: 6
Joined: Wed May 02, 2012 12:05 am

Re: difference in NGsBlkXs, NGsBlkXp, NGsBlkXd

Post by JianjunYang » Mon Jun 04, 2012 4:55 pm

Dear Daniele,
It is ver clear now. Thanks a lot!

Jianjun
Daniele Varsano wrote:Dear JianJun,
as you said, all the variables have the same purpose, but the name
of the variable depend on the kind of calculation you want to run.
The las letter stands for:
s = static (eps-1 is calculated for omega=0 only)
d= dynamic (eps-1 full dynamic)
p= plasmon pole (eps-1 at omega=0 and imaginary plasmon frequency).

Hope now it is clear,

Cheers,

Daniele
Jianjun Yang
Department of Physics and Engineering Phyiscs
University of Saskatchewan, Canada

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