band index in the computation of \Chi_0

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band index in the computation of \Chi_0

Postby caowd » Mon Feb 22, 2016 7:54 am

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?
Wen-Dong Cao
Candidate for Ph.D
Department of Physics
Group of Condensed Material Theory
Tsinghua University
Beijing P.R.China
+86 010 62772784
caowd
 
Posts: 22
Joined: Mon Jan 20, 2014 4:13 am

Re: band index in the computation of \Chi_0

Postby Daniele Varsano » Mon Feb 22, 2016 5:04 pm

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
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/
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Daniele Varsano
 
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Re: band index in the computation of \Chi_0

Postby caowd » Tue Feb 23, 2016 3:56 am

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.
Wen-Dong Cao
Candidate for Ph.D
Department of Physics
Group of Condensed Material Theory
Tsinghua University
Beijing P.R.China
+86 010 62772784
caowd
 
Posts: 22
Joined: Mon Jan 20, 2014 4:13 am


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