[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
   
      
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-----   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
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  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 9241860 Int. 109
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  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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