Dear all
I am reading the source code of yambo 4.0.1 and the file X_os.F in src/pol_funcion/ seems to calculate the \Chi_0.
In the file X_os.F, there are the following codes:
-------------------------------------------------------------------------------------------
loop_bare_grid: do i_bg = 1,bare_grid_N(i_cg)
!
n_poles=n_poles+1
!
! Scattering geometry
!---------------------
!
ikbz = X_poles_tab(n_poles,1)
iv = X_poles_tab(n_poles,2)
ic = X_poles_tab(n_poles,3)
i_spin = X_poles_tab(n_poles,4)
--------------------------------------------------------------------------------------------
My question is that whether the two variables (iv and ic) correspond to the band index in the summation in the computation of \Chi_0.
And the occupation for iv/ic is full/empty.
Could anyone please help me on this?
band index in the computation of \Chi_0
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band index in the computation of \Chi_0
Wen-Dong Cao
Candidate for Ph.D
Department of Physics
Group of Condensed Material Theory
Tsinghua University
Beijing P.R.China
+86 010 62772784
Candidate for Ph.D
Department of Physics
Group of Condensed Material Theory
Tsinghua University
Beijing P.R.China
+86 010 62772784
- Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: band index in the computation of \Chi_0
Dear Wei-Dong Cao,
If presume you mean X_os_residuals.F.
Yes, as you argued iv is the index of the valence bands hence occupied and ic indicate the conduction bands.
They are used for the computation of Xo.
Best,
Daniele
If presume you mean X_os_residuals.F.
Yes, as you argued iv is the index of the valence bands hence occupied and ic indicate the conduction bands.
They are used for the computation of Xo.
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/
-
- Posts: 22
- Joined: Mon Jan 20, 2014 4:13 am
Re: band index in the computation of \Chi_0
Dear Daniele Varsano
Thank you for your quick response.
Yes, I means the file X_os_residuals.F in the latest version of yambo (4.0.2 rev.90) and it really helps me a lot.
Best Wishes.
Thank you for your quick response.
Yes, I means the file X_os_residuals.F in the latest version of yambo (4.0.2 rev.90) and it really helps me a lot.
Best Wishes.
Wen-Dong Cao
Candidate for Ph.D
Department of Physics
Group of Condensed Material Theory
Tsinghua University
Beijing P.R.China
+86 010 62772784
Candidate for Ph.D
Department of Physics
Group of Condensed Material Theory
Tsinghua University
Beijing P.R.China
+86 010 62772784