can yambo treat the cluster model with Gamma point only?

Run-time issues concerning Yambo that are not covered in the above forums.

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damao4361556
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Joined: Wed Dec 16, 2015 8:11 pm

can yambo treat the cluster model with Gamma point only?

Post by damao4361556 » Sun Jan 03, 2016 8:16 am

Hi everyone

the yambo code can be used for cluster model as well, right?
But for the cluster model, one Gamma point is usually enough?
In this regard, is it necessary to use a uniform k point to do the convergence test?

thanks
Wei Li
Institute of theoretical chemistry
Jilin University, PR China

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Daniele Varsano
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Re: can yambo treat the cluster model with Gamma point only?

Post by Daniele Varsano » Sun Jan 03, 2016 9:57 am

Dear Eric,
gamma point sampling can be considered as uniform. There are examples in the tutorial treating molecules.
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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