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Band Structure not Smooth

From: hbao@purdue.edu
To: forum@abinit.org
Subject: Band Structure not Smooth
Date: Mon, 9 Jul 2007 23:04:13 +0200

Dear all,
I am using abinit to calculate band structure of anatase TiO2. The band gap
is good and trends is good too. However, the bands are not smooth curves.
Instead, they are fluctuating, especially at higher energy levels. What might
be the reason for that?

Band Structure not Smooth, hbao, 07/09/2007
- Re: [abinit-forum] Band Structure not Smooth, Michel Cote, 07/10/2007
  - Re: [abinit-forum] Band Structure not Smooth, Hua Bao, 07/10/2007
    - Re: [abinit-forum] Band Structure not Smooth, Konstantin Rushchanskii, 07/10/2007
      - Re: [abinit-forum] Band Structure not Smooth, Hua Bao, 07/11/2007
        
        Re: [abinit-forum] Band Structure not Smooth, Michel Cote, 07/12/2007
- Re: [abinit-forum] Band Structure not Smooth, Xavier Gonze, 07/17/2007