RPA spectrum

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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samaneh
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am

RPA spectrum

Post by samaneh » Fri Oct 02, 2015 7:14 pm

Dear Developers,
There are two kinds of imaginary and real part of dielectric function
in columns 2,3 and 4,5 in the out put file
of RPA calculations (yambo -o c, o.eps)
what are the data in columns 4,5?
are they the calculated dielectric function data
for the non-interacting matrix (without local field effect)
like the columns 4,5 data in the out put of BSE calculations
which are the non-interacting matrix??
Best regards
S. Ataei, University of Tehran, Iran
S. Ataei, PhD student at University of Tehran, Iran.

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Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
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Re: RPA spectrum

Post by Daniele Varsano » Fri Oct 02, 2015 8:04 pm

Correct.
Independent particle spectrum, ie without including the local field effects.

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/

samaneh
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am

Re: RPA spectrum

Post by samaneh » Sat Oct 03, 2015 9:56 am

Thank you Daniele.
Best regards
S. Ataei
S. Ataei, PhD student at University of Tehran, Iran.

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