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

[柯常]

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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