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[abinit-forum] nband value and occopt

From: Souraya Goumri-Said <Souraya.Goumri-Said@fundp.ac.be>
To: forum@abinit.org
Subject: [abinit-forum] nband value and occopt
Date: Thu, 05 Mar 2009 17:56:58 +0100

Dear Abinitors,

I have some problem to understand the "choice" of the nband and occopt value ? By reading the input variables for nband and occopt, I don't know how can I attribute the values of these input essentially for an insulator ( semiconductors) ?

Can someone explain to me how to know in adavance these values ?

Regards,

Cordialement,
Sincerely yours,

====================================
Dr. Souraya Goumri-Said
Centre de recherche en Physique de la Matière et du Rayonnement (PMR)
Laboratoire de Physique du Solide
Facultés Universitaires Notre-Dame de la Paix
Rue de Bruxelles 61 - B - 5000 Namur
Tel : +32(0)81 72 47 01
Fax : +32(0)81 72 47 10
http://sourayagoumri-said.weebly.com/
email : Souraya.Goumri-Said@fundp.ac.be

[abinit-forum] ecut for the RF calculation of BaTiO3, Takeshi NISHIMATSU, 03/04/2009
- Re: [abinit-forum] ecut for the RF calculation of BaTiO3, Xavier Gonze, 03/04/2009
  - Re: [abinit-forum] ecut for the RF calculation of BaTiO3, Takeshi NISHIMATSU, 03/05/2009
    - Re: [abinit-forum] ecut for the RF calculation of BaTiO3, Eric Bousquet, 03/05/2009
      - Re: [abinit-forum] ecut for the RF calculation of BaTiO3, Takeshi NISHIMATSU, 03/07/2009
      - Re: [abinit-forum] ecut for the RF calculation of BaTiO3, Takeshi NISHIMATSU, 03/10/2009
  - [abinit-forum] nband value and occopt, Souraya Goumri-Said, 03/05/2009