VDW ALPHA: Difference between revisions

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{{TAGDEF|VDW_ALPHA|[real (array)]}}
{{TAGDEF|VDW_ALPHA|[real (array)]}}



Revision as of 13:42, 21 March 2022

VDW_ALPHA = [real (array)] 

Description: VDW_ALPHA defines the polarizability (bohr) for each species defined in the POSCAR file within the DFT-D2 method.


Related Tags and Sections

DFT-D2

Examples that use this tag