[SIESTA-L] fractional valence for H

[Adam Gali]

  Dear Users/Developers of SIESTA,

I would like to ask whether is it possible to use fractional valence
charge for H (Zval=0.75 instead of 1.0, for instance)? It would be
neccesary to saturate the dangling bonds at partially ionic surface.

Yours,
        Adam Gali


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Dr. Gali Ádám                            Adam Gali, PhD

Budapesti Műszaki és                     Department of Atomic Physics,
Gazdaságtudományi Egyetem,               Budapest University of Technology and
Atomfizika Tanszék                       Economics
Budapest, Budafoki út 8., 1111           Budafoki út 8., H-1111, Budapest,
                                         Hungary

telefon: 463-1580                        telephone: [36]-(1)-463-1580
fax: 463-4357                            fax:  [36]-(1)-463-4357

                        e-mail: [EMAIL PROTECTED]
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