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VDW_TS_sr

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VDW_TS_sr

Section Hamiltonian::XC
Type float
Default 0.94

Set the value of the sr parameter in the damping function of the VDW correction in the Tkatchenko-Scheffler scheme. See Equation (12) of Phys. Rev. Lett. 102 073005 (2009). This parameter depends on the xc functional used. The default value is 0.94, which holds for PBE. For PBE0, a value of 0.96 should be used.

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