scissor operator

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

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

scissor operator

Post by samaneh » Tue Nov 17, 2015 4:46 pm

Dear Developers,

Is that necessary to consider the g0w0 database
along with the scissor operator in
the input file of "yambo -o b -k sex -y h"??
or I can use it without any g0w0 database?

Thanks
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: scissor operator

Post by Daniele Varsano » Tue Nov 17, 2015 5:57 pm

Dear S. Ataei,
the scissor operator it is used to mimic the effect of quasiparticle correction if applies. So the QP database is not needed, otherwise you will apply QP corrections twice.

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: scissor operator

Post by samaneh » Wed Nov 18, 2015 8:46 am

Dear Daniele,

Thank you
so you mean that I can run yambo -o b -k sex -y h (put the scissor value) & yambo
without doing g0w0 calculations to have a database???

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

User avatar
Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: scissor operator

Post by Daniele Varsano » Wed Nov 18, 2015 9:36 am

Dear Samaneh,
so you mean that I can run yambo -o b -k sex -y h (put the scissor value) & yambo
Yes, the problem the value to use as scissor.

Code: Select all

without doing g0w0 calculations to have a database???
Yes, but usually g0w0 is used to evaluate the scissor value and verify the scissor approximation is reasonable.

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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