VDW C6AU: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(14 intermediate revisions by 2 users not shown)
Line 2: Line 2:
{{TAGDEF|VDW_C6AU|[real (array)]}}
{{TAGDEF|VDW_C6AU|[real (array)]}}


Description: {{TAG|VDW_C6AU}} defines the <math>C_6</math> parameters (<math>\mathrm{Jnm}^{6}\mathrm{mol}^{-1}</math>) for each species defined in the {{TAG|POSCAR}} file within the {{TAG|DFT-D2}} and [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] methods.
Description: {{TAG|VDW_C6AU}} defines the <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) for each species defined in the {{TAG|POSCAR}} file.
----
----
{{TAG|VDW_C6AU}} sets the <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) for each species defined in the {{TAG|POSCAR}} file for the [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] and [[Many-body dispersion energy|Many-body dispersion energy]] methods.


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|DFT-D2}}
{{TAG|VDW_C6}},
{{TAG|Tkatchenko-Scheffler_method}}
[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]],
[[Many-body dispersion energy|Many-body dispersion energy]]


{{sc|VDW_C6|Examples|Examples that use this tag}}
{{sc|VDW_C6AU|Examples|Examples that use this tag}}
----
----


[[Category:INCAR]][[Category:XC Functionals]][[Category:van der Waals]]
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]

Latest revision as of 10:04, 9 February 2024

VDW_C6AU = [real (array)] 

Description: VDW_C6AU defines the parameters ( ) for each species defined in the POSCAR file.


VDW_C6AU sets the parameters ( ) for each species defined in the POSCAR file for the Tkatchenko-Scheffler and Many-body dispersion energy methods.

Related tags and articles

VDW_C6, Tkatchenko-Scheffler method, Many-body dispersion energy

Examples that use this tag