Dear Developers,
I did some calculations with yambo -o c -k hartree
and I have output files for q1, q2, ...
would you please tell me what is the meaning of these
Qs?
and which of these files is important to plot(e.g. for epsilon)?
I saw in the tutorial that plot the spectrum just for the q1!!
All the best
S. Ataei, University of Tehran, Iran
optical spectrum
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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samaneh
- Posts: 165
- Joined: Tue Jan 21, 2014 9:03 am
optical spectrum
S. Ataei, PhD student at University of Tehran, Iran.
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Daniele Varsano
- Posts: 4198
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Re: optical spectrum
Dear S. Atei,
The q's are the transferred momenta, which are important if you are interested to electron energy loss spectra. If you need the optical sepectrum only you are interested to q1, which is the limit q->0 and you can avoid to calculate the other q just setting:
in the input file.
Daniele
The q's are the transferred momenta, which are important if you are interested to electron energy loss spectra. If you need the optical sepectrum only you are interested to q1, which is the limit q->0 and you can avoid to calculate the other q just setting:
Code: Select all
%QpntsRXd
1|1| # (Xd) Transferred momenta
%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/
-
samaneh
- Posts: 165
- Joined: Tue Jan 21, 2014 9:03 am
Re: optical spectrum
Dear Daniele,
Thank you for your helpful comments.
Best regards
S. Ataei
Thank you for your helpful comments.
Best regards
S. Ataei
S. Ataei, PhD student at University of Tehran, Iran.