EXCITON_weight_treshold does not work in the input file

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lyzhao
Posts: 57
Joined: Tue May 31, 2016 8:02 am

EXCITON_weight_treshold does not work in the input file

Post by lyzhao » Mon Jan 13, 2025 11:39 am

Dear all,
I set the EXCITON_weight_treshold in the input file, but it does not work.
I have changed the default value for EXCITON_weight_treshold by modifing the YPP_SET_defaults.F,
it works.

more info, see the attached files.

Best regards.
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Youzhao Lan
College of Chemistry and Materials Science,
Zhejiang Normal University,
Jinhua, Zhejiang, China.
HomePage: http://blog.sciencenet.cn/u/lyzhao

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palful
Posts: 93
Joined: Tue Jan 26, 2016 11:23 am
Location: Modena and Milan

Re: EXCITON_weight_treshold does not work in the input file

Post by palful » Mon Jan 13, 2025 12:35 pm

Dear Youzhao,

The name of the input variable string is "Weight_treshold", not "EXCITON_weight_treshold" (which is the name of the internal Yambo variable).

If you generate the input with maximum verbosity, such as:

Code: Select all

ypp -e a -V all
You get an input file with all the variable names explicitly written, including:

Code: Select all

Weight_treshold= 0.050000        # Print transitions above this weight treshold (max normalized to 1.)
Best,
Fulvio
Dr. Fulvio Paleari
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy

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