[Wien] number of electrons in valence band
hossien rahnama
h_rahnamay at yahoo.com
Tue Oct 16 17:00:44 CEST 2007
Dear Ricardo,
Thanks a lot for your reply.
Best wishes,
Rahnama
Ricardo Faccio <rfaccio at fq.edu.uy> wrote:
Dear Rahnama
The number of valence electros is fixed in the case.in2 file.
Are you talking about total number of electrons y valence band? or Are you trying to evaluate it in a specific band?
Regards
Ricardo
-------------------------------------------------------------------------
----- Ing. Quím. Ricardo Faccio
Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
Facultad de Química, Universidad de la República
Av. Gral. Flores 2124, C.C. 1157
C.P. 11800, Montevideo, Uruguay.
E-mail: rfaccio at fq.edu.uy
Phone: 598 2 9241860 Int. 109
598 2 9290705
Fax: 598 2 9241906
Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
----- Original Message -----
From: hossien rahnama
To: wien at zeus.theochem.tuwien.ac.at
Sent: Monday, October 15, 2007 7:46 AM
Subject: [Wien] number of electrons in valence band
Dear Wien2k users,
Thanks a lot for your attentions. I want to calculate, number of electrons in valence band for In2O3 with 80 atoms in unit cell. How can I calculate, the number of electrons in valence band for In2O3?
Thank you for any suggestion in advanced.
Rahnama
Hossein Asghar Rahnamaye Aliabad(PH.D Student)
Electroceramic and Material Laboratory
Department of Physics,Faculty of Science
Ferdowsi University of Mashhad, Iran
Phone: +98 511 8644047
Web: www.um.ac.ir
Email: ho_ra71 at stu-mail.um.ac.ir, h_rahnamay at yahoo.com
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Hossein Asghar Rahnamaye Aliabad(PH.D Student)
Electroceramic and Material Laboratory
Department of Physics,Faculty of Science
Ferdowsi University of Mashhad, Iran
Phone: +98 511 8644047
Web: www.um.ac.ir
Email: ho_ra71 at stu-mail.um.ac.ir, h_rahnamay at yahoo.com
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