VDW_ALPHA

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VDW_ALPHA = [real (array)] 

Description: VDW_ALPHA defines the polarizability [math]\displaystyle{ \alpha_{0} }[/math] (bohr[math]\displaystyle{ ^{3} }[/math]) for each species defined in the POSCAR file.


VDW_ALPHA sets the polarizability [math]\displaystyle{ \alpha_{0} }[/math] (bohr[math]\displaystyle{ ^{3} }[/math]) for each species defined in the POSCAR file for the Tkatchenko-Scheffler and Many-body dispersion energy methods.

Related tags and articles

Tkatchenko-Scheffler method, Many-body dispersion energy

Examples that use this tag