BPARAM: Difference between revisions

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Description: The flag {{TAG|BPARAM}} allows to specify the value of the parameter <math>b</math> in the kernel of the non-local rVV10 correlation functional.
Description: The flag {{TAG|BPARAM}} allows to specify the value of the parameter <math>b</math> in the kernel of the non-local rVV10 correlation functional.
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In SCAN+rVV10{{cite|peng:prx:2016}}, <math>b=15.7</math>.
Note that <math>b</math> should be set to 15.7 for the SCAN+rVV10 functional{{cite|peng:prx:2016}}.


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 09:56, 21 January 2022

BPARAM = [real]
Default: BPARAM = 6.3 

Description: The flag BPARAM allows to specify the value of the parameter in the kernel of the non-local rVV10 correlation functional.


Note that should be set to 15.7 for the SCAN+rVV10 functional[1].

Related Tags and Sections

VdW-DF functional of Langreth and Lundqvist et al.,PARAM1,PARAM2

Examples that use this tag