Compact gamma-alumina (110) cell

["Fernando D. Vila" <fer-.at.-tiziano.phys.washington.edu>]

 Hello everybody.
  I'm trying to do some simulations of the interaction of Re on athe
 (110)
 surface of gamma-Al2O3. The problem I have is that g-Al2O3 seems to be
 a
 pretty nasty system (At least for a surface simulations begginer like
 me
 :-). I have a paper by Wolverton where they declare that after checking
 the different options they have, they found a nice compact (i.e.
 similar
 axis lengths) and small cell to do the simulations on bulk alumina. I
 have
 been trying to create this cell for some time now without success.
What I'm wondering is if anybody here has some expertise with g-Al2O3,
 can
 maybe tell me how to build that cell. Maybe also send me some examples
 of
 cells that I could use to guide me. Any help would be very greatly
 appreciated.
 Best regards and thanks in advance, Fer.
 Ubi dubium ibi libertas.
 *******************************************************************************
 Fernando D. Vila                Voice    (206)543-9697
 Department of Physics           Fax      (206)685-0635
 University of Washington        E-mail   fdv-.at.-u.washington.edu
 Seattle, WA 98195, USA          WWW      http://faculty.washington.edu/fdv
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