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, ?? <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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100522/eb946e04/attachment.htm
