[Pw_forum] Pseudopotential for "hydrogen-like atoms" or "pseudo hydrogens"

[Duy Le]

I don't think VASP provides potential for Z=X/3. Other than Z/3, you might
find them in quantum expresso website.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"


On Sat, May 22, 2010 at 5:22 AM, 柯常 <kechang.nju at gmail.com> wrote:

> Dear all
>
> I'm working on the modeling of semiconductor nanostructure and want to cap
> the surface with H with fractional charge in order to eliminate the surface
> state. Is there anyone has the pseudopotentials for these so call
> "hydrogen-like atoms" or "pseudo hydrogens". I need the H(Z=4/3) and
> H(Z=2/3). For the literature, it seems these pseudo hydrogens are used a lot
> in VASP.
>
>
> Thanks in advance,
>
> sincerely,
> Ke chang
> NTU, Sg
> PHD student
>
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