Is it possible to somehow get a LDOS evaluated at an off-atom site? (In particular, at a height above the surface plane in a slab calculation).
An intuitive way to accomplish this would seem to be the VASP equivalent of a dummy/ghost atom, with no electrons and zero psuedopotential, merely defining a site in space. I don't this this is possible (or at least I don't know how to make sure a null potential, although it is probably straightforward for those who know what they are doing.)
Alternatively, are there any tools that read the WAVECAR file, so as to evaluate the Kohn-Sham orbitals at a point in same an calculate such a quantity manually?
Thanks for any guidance.
Local DOS evaluated at off-atom position
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schmidtj1
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Local DOS evaluated at off-atom position
Last edited by schmidtj1 on Wed Apr 23, 2008 8:16 pm, edited 1 time in total.
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support_vasp
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Re: Local DOS evaluated at off-atom position
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