GGA

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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FADWA
Posts: 6
Joined: Thu Feb 13, 2014 12:34 pm

GGA

Post by FADWA » Mon May 19, 2014 3:57 pm

Hi
I observe almost articles used LDA in its calculations, can I use GGA with yambo or not ?
Thank you in advance
FADWA ELY
PhD student
LPHE-SM, University Mohammed V, Agdal
Rabat Morocco
fadwa.me@live.fr
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Daniele Varsano
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Re: GGA

Post by Daniele Varsano » Mon May 19, 2014 4:00 pm

Dear Fadwa,
yes you can use GGA.

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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FADWA
Posts: 6
Joined: Thu Feb 13, 2014 12:34 pm

Re: GGA

Post by FADWA » Mon May 19, 2014 4:10 pm

thank for quick answer, There is a poste in forum of yambo said that you can't do the calculation with GGA, But I done it and it gave me a good results.
FADWA ELY
PhD student
LPHE-SM, University Mohammed V, Agdal
Rabat Morocco
fadwa.me@live.fr
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Daniele Varsano
Posts: 3829
Joined: Tue Mar 17, 2009 2:23 pm
Contact:
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Re: GGA

Post by Daniele Varsano » Mon May 19, 2014 4:23 pm

Dear Fadwa,
most probably the post is referred to an old version of yambo where the use of GGA was not yet implemented.
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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