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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Note that | Note that {{TAG|BPARAM}} 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 BPARAM 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