[Wien] How to get average electron density on a special
crystalline plane?
Peter Blaha
pblaha at theochem.tuwien.ac.at
Mon Nov 14 14:21:59 CET 2005
I'm not sure if this is what you really want.
Anyway: calculate the density in a plane on a grid (like 100x100 points) and
average over all values.
> Dear wien2k users:<p> I would like to know the average electron density on a special crystalline plane, such as (100),(110).And I have looked for related information in mail-list, but there is nothing on this question. Who can tell me how to do. Thanks very much!<p><p>Yours sincerely<p>F. Ma
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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