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
can yambo treat the cluster model with Gamma point only?
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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can yambo treat the cluster model with Gamma point only?
Wei Li
Institute of theoretical chemistry
Jilin University, PR China
Institute of theoretical chemistry
Jilin University, PR China
- Daniele Varsano
- Posts: 4198
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Re: can yambo treat the cluster model with Gamma point only?
Dear Eric,
gamma point sampling can be considered as uniform. There are examples in the tutorial treating molecules.
Best
Daniele
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/
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/