[Wien] External Electric Static Potential

[Peter Blaha]

>   I have done a surface (slab) calculation and would like to add a
> (external) localized electric static potential near the surface (in the
> vacuum region). All I want is to do a one-time diagonalization under
> the potential V_{slab} + V_{external}. Does anyone have experience
> doing this?

You can do this directly using lapw0. Please check the UG for the input.
Also, you may have to look directly into the code in SRC_lapw0. "grep"
for "feld" to find the relevant codeportions.


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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