ZAB VDW

Zab_vdW = [real]
Default: Zab_vdW = -0.8491

Description: The flag Zab_vdW allows to specify the value of the parameter [math]\displaystyle{ Z_{ab} }[/math] in the kernel of the non-local vdW correlation functional of Dion et al.^[1]

In a revised version of the vdW correlation functional from Lee et al.^[2], [math]\displaystyle{ Z_{ab}=−1.887 }[/math].

Related Tags and Sections

VdW-DF functional of Langreth and Lundqvist et al.,PARAM1,PARAM2

Examples that use this tag

↑ M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).
↑ K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 82, 081101(R) (2010).

[dion:prl:2004-1] M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).

[lee:prb:2010-2] K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 82, 081101(R) (2010).

[1]

[2]