VDW SR: Difference between revisions

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{{TAGDEF|VDW_SR|[real]}}
{{TAGDEF|VDW_SR|[real]|1.0}}


Description: {{TAG|VDW_SR}} defines the damping function parameter <math>s_{R}</math> (or scaling facto in the {{TAG|DFT-D2}} and {{TAG|DFT-D3}} method.
Description: {{TAG|VDW_SR}} defines the damping function parameter <math>s_{R}</math> (or scaling facto in the {{TAG|DFT-D2}} and {{TAG|DFT-D3}} method.

Revision as of 14:06, 7 February 2018

VDW_SR = [real]
Default: VDW_SR = 1.0 

Description: VDW_SR defines the damping function parameter (or scaling facto in the DFT-D2 and DFT-D3 method.


Related Tags and Sections

DFT-D2, DFT-D3

Examples that use this tag


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