GAMMA VDW: Difference between revisions

Latest revision as of 12:22, 19 March 2024

Default: GAMMA_VDW	= 1.12	for IVDW_NL=3 or
	= 1.29	for IVDW_NL=4

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

The GAMMA_VDW tag allows to specify the value of the parameter $\gamma$ 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]

@@ Line 3: / Line 3: @@
 {{DEF|GAMMA_VDW|1.12|for {{TAG|IVDW_NL}}{{=}}3 or |1.29|for {{TAG|IVDW_NL}}{{=}}4}}
-Description: The {{TAG|GAMMA_VDW}} tag allows to specify the value of the parameter <math>\gamma</math> in the kernel of the vdW-DF3-opt1/vdW-DF3-opt2 nonlocal van der Waals functionals.{{cite|chakraborty:jctc:2020}}
+Description: Specify <math>\gamma</math> in vdW-DF3-opt1/vdW-DF3-opt2.
 ----
+The {{TAG|GAMMA_VDW}} tag allows to specify the value of the parameter <math>\gamma</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 13: / Line 15: @@
 {{sc|GAMMA_VDW|Examples|Examples that use this tag}}
-----
+== References ==
+<references/>
-<!--[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]-->
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]