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Re: [abinit-forum] Calculation of Fukui function!

From: nh nh <hthp12@yahoo.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Calculation of Fukui function!
Date: Fri, 15 Dec 2006 16:52:16 +0000 (GMT)
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Dear Sir Nuno A. G. Bandeira!

Thank you very much for your reply!

By using LUCO/HOCO, I can calculate both global hardness and softness.

I consider, in order to calculate local softness for some atoms in a periodic solid system I could calculate a neutral and monopositive or mononegative with a periodic solid system the same a finite molecular?

Thank you in atvance!

Nguyen Ha, Hanoi National University of Education.

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Calculation of Fukui function!, nh nh, 12/11/2006
- Re: [abinit-forum] Calculation of Fukui function!, Nuno A. G. Bandeira, 12/11/2006
  - Re: [abinit-forum] Calculation of Fukui function!, nh nh, 12/15/2006
    - Re: [abinit-forum] Calculation of Fukui function!, Nuno A. G. Bandeira, 12/15/2006