I don't think VASP provides potential for Z=X/3. Other than Z/3, you might find them in quantum expresso website.<br clear="all">--------------------------------------------------<br>Duy Le<br>PhD Student<br>Department of Physics<br>
University of Central Florida.<br><br>"Men don't need hand to do things"<br>
<br><br><div class="gmail_quote">On Sat, May 22, 2010 at 5:22 AM, 柯常 <span dir="ltr"><<a href="mailto:kechang.nju@gmail.com">kechang.nju@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Dear all<br><br>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. <br>
<br><br>
Thanks in advance,<br>
<br>
sincerely,<br>
Ke chang<br>NTU, Sg<br>PHD student<br>
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