VDW SR: Difference between revisions

Revision as of 14:06, 7 February 2018

VDW_SR = [real]
Default: VDW_SR = 1.0

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

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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.