Dear Daniele
In order to apply the scissor operator when solving the BSE, I did the following steps:
1. yambo -b #calculate the screened Electron-electron interaction
2. yambo
3. yambo -o b -k sex -y h #solve the BSE
during this step, the generated yambo.in file doesn't contain the KfnQP_E variable, as known that this variable is necessary to apply the scissor operator. Do you know why?
I used the YAMBO version of 3.4.1 rev 3187
thanks
KfnQP_E variable
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KfnQP_E variable
Wei Li
Institute of theoretical chemistry
Jilin University, PR China
Institute of theoretical chemistry
Jilin University, PR China
- Daniele Varsano
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Re: KfnQP_E variable
Dear Eric,
it is a variable that it is activated when asking for more verbosity:
see here:
By using:
the variable will be present in the input.
Other option is to insert it by hand in your input file.
Best,
Daniele
it is a variable that it is activated when asking for more verbosity:
see here:
By using:
Code: Select all
yambo -o b -k sex -y h -V qp
Other option is to insert it by hand in your input file.
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/