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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100522/308b47af/attachment.htm
