ZAB_VDW

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ZAB_VDW = [real]
Default: ZAB_VDW = -0.8491 

Description: The tag ZAB_VDW specifies the value of the parameter [math]\displaystyle{ Z_{ab} }[/math] in the kernel of the non-local van der Waals 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}=-1.8867 }[/math].

Related tags and articles

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

Examples that use this tag

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