*ERR* BS scattering :no

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

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sdwang
Posts: 287
Joined: Fri Apr 09, 2010 12:30 pm

*ERR* BS scattering :no

Post by sdwang » Thu Mar 03, 2011 9:06 am

Dear Developers:
I noticed that in my BS calculation report "r_optics_bse_bss_rim_cut" there exits some error like:
[03] Transferred momenta grid
=============================

[RD./SAVE//db.kindx]----------------------------------------
Polarization last K : 23
QP states : 1 23
X grid is uniform :yes
*ERR* BS scattering :no
- S/N 008068 ---------------------------- v.03.02.01 r.448 -

My procedure as follows:
>yambo -c -b
>yambo
>yambo -c -o b -y h -V 2
>yambo

I donot kown what does the " *ERR* BS scattering :no" mean? How can I solve the problem ?
My system is 2D graphane.
Thanks!
SDWang
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

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Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
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Re: *ERR* BS scattering :no

Post by Daniele Varsano » Thu Mar 03, 2011 9:45 am

Dear Shudong Wang,
this is not strictly an error. Yambo check in your k-points database
if they are indexed to perform a BS calculation. In the first BSE you do,
he recognize that these index are not there, and calculate it.

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/

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