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Re: [abinit-forum] Convergence problem of isolated Ni atom

From: "张�s" <zhangting1980323@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Convergence problem of isolated Ni atom
Date: Thu, 3 Jan 2008 23:26:38 +0800
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Dear Choi-Jun Yu:

   I think maybe you can try the keyword nsppol = 2. I guess Ni atom's ground state should be spin polarized.

Regards

                         Zhang Ting
                         Peking Univ.
                         Jan, 3rd, 2008

Convergence problem of isolated Ni atom, Chol-Jun Yu, 01/02/2008
- Re: [abinit-forum] Convergence problem of isolated Ni atom, Kris Andersen, 01/02/2008
  - Re: [abinit-forum] Convergence problem of isolated Ni atom, Chol-Jun Yu, 01/02/2008
    - RE: [abinit-forum] Convergence problem of isolated Ni atom, Allan, Douglas C Dr, 01/02/2008
      - Re: [abinit-forum] Convergence problem of isolated Ni atom, 张�s, 01/03/2008