ALPHA VDW: Difference between revisions

Revision as of 12:18, 19 March 2024

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]

Related tags and articles

GAMMA_VDW, PARAM1, PARAM2, Nonlocal vdW-DF functionals

Examples that use this tag

↑ 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]

@@ Line 3: / Line 3: @@
 {{DEF|ALPHA_VDW|0.94950|for {{TAG|IVDW_NL}}{{=}}3 or |0.28248|for {{TAG|IVDW_NL}}{{=}}4}}
-Description: The {{TAG|ALPHA_VDW}} tag allows to specify the value of the parameter <math>\alpha</math> in the kernel of the vdW-DF3-opt1/vdW-DF3-opt2 nonlocal van der Waals functionals.{{cite|chakraborty:jctc:2020}}
+Description: Specify <math>\alpha</math> in vdW-DF3-opt1/vdW-DF3-opt2.
 ----
+The {{TAG|ALPHA_VDW}} tag allows to specify the value of the parameter <math>\alpha</math> in the kernel of the vdW-DF3-opt1/vdW-DF3-opt2 nonlocal van der Waals functionals.{{cite|chakraborty:jctc:2020}}
 == Related tags and articles ==
@@ Line 15: / Line 17: @@
 ----
-<!--[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]-->
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]