Dear yambo developers,
I want to analyze the distribution of the exciton function in k space. I have finished the calculation of GW and BSE. I want to achieve this through the following methods:
1. Generate each k point in the Brillouin zone and its corresponding energy.
2. Generate weights corresponding to each energy.
So I can get the weights of all the k points in the Brillouin zone. I would like to ask what specific instructions should I use?
Yours,
WangFuyou
Ypp generates K points in the full Brillouin zone
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
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Re: Ypp generates K points in the full Brillouin zone
Dear WangFuyou,
all you need is already contained in the weight output file (o*weigh*).
For the meaning of each column you can have a look at this thread:
viewtopic.php?p=14495&hilit=o.weight%2A#p14495
K point in the full BZ are indicated as K in IBZ and symmetrical operation index. The symmetry operation associated with the indexes are listed in the report file.
You can also plot the weights using the yambopy platform. Here a tutorial on how to use yambopy:
https://wiki.yambo-code.eu/wiki/index.p ... in_Yambopy
and here on how to use it for exciton analysis:
https://wiki.yambo-code.eu/wiki/index.p ... ption_(BN)
Best,
Daniele
all you need is already contained in the weight output file (o*weigh*).
For the meaning of each column you can have a look at this thread:
viewtopic.php?p=14495&hilit=o.weight%2A#p14495
K point in the full BZ are indicated as K in IBZ and symmetrical operation index. The symmetry operation associated with the indexes are listed in the report file.
You can also plot the weights using the yambopy platform. Here a tutorial on how to use yambopy:
https://wiki.yambo-code.eu/wiki/index.p ... in_Yambopy
and here on how to use it for exciton analysis:
https://wiki.yambo-code.eu/wiki/index.p ... ption_(BN)
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/