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RE: [abinit-forum] problem


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  • From: "Hua Bao" <hbao@purdue.edu>
  • To: <forum@abinit.org>
  • Subject: RE: [abinit-forum] problem
  • Date: Fri, 2 May 2008 12:38:56 -0400

Why don't assume all valence bands are occupied?

-----Original Message-----
From: m_mousavi1980@yahoo.com [mailto:m_mousavi1980@yahoo.com]
Sent: Monday, October 15, 2007 7:03 AM
To: forum@abinit.org
Subject: [abinit-forum] problem

Dear abinit 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.




  • RE: [abinit-forum] problem, Hua Bao, 05/02/2008

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