[Pw_forum] slater transition state

[Paolo Giannozzi]

On Feb 5, 2010, at 15:19 , kazempoor at ph.iut.ac.ir wrote:

> can I remove fractional electron from VBM and put in CBM or higher?

not really: all you can do is to remove a fraction of an electron from
the VBM, or to add a fraction of an electron to the CBM

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222