ALPHA_VDW

ALPHA_VDW = [real]

Default: ALPHA_VDW	= 0.94950	for IVDW_NL=3 or
	= 0.28248	for IVDW_NL=4

Description: Specify $\alpha$ in vdW-DF3-opt1/vdW-DF3-opt2.

The ALPHA_VDW tag allows to specify the value of the parameter $\alpha$ in the kernel of the vdW-DF3-opt1/vdW-DF3-opt2 nonlocal van der Waals functionals.^[1]

References

↑ D. Chakraborty, K. Berland, and T. Thonhauser, Next-Generation Nonlocal van der Waals Density Functional, J. Chem. Theory Comput. 16, 5893 (2020).

[chakraborty:jctc:2020-1] D. Chakraborty, K. Berland, and T. Thonhauser, Next-Generation Nonlocal van der Waals Density Functional, J. Chem. Theory Comput. 16, 5893 (2020).

[1]

Related tags and articles

References