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- From: Pawel Scharoch <scharoch@rainbow.if.pwr.wroc.pl>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Energy selective electron density ?
- Date: Thu, 4 Dec 2003 12:17:02 +0100 (CET)
Dear Mr Schmidt,
thank you for your reply. I am satisfied with it. Indeed, near Ef we
should expect charge distribution corresponding to real energy. This is
how I understand Kohn-Sham theory.
Best regards,
Pawel
On Wed, 3 Dec 2003 torsten.schmidt@s1999.tu-chemnitz.de wrote:
> Dear Mr. Scharoch!
>
> The physical relevance of my question about energy-selective electron
> density
> was the aim to investigate the chrage distribution of states near Ef with
> high
> resistivities in quasicrystals. So it doesn't matter how we call it (energy
> or
> Kohn-Sham energy), to compare the DOS, the resistivity and the charge
> distribution for the same energy range (kohn-sham) is very informative.
>
> On the other hand there is of course a relation betwenn the Kohn Sham
> energies
> and the physical Eigen-energies of the states.
>
> Hope, that I could help
>
> best regards
> Torsten
>
- mkmem =0, multidataset mode, Narayani Choudhury, 12/02/2003
- Energy selective electron density ?, torsten . schmidt, 12/02/2003
- Re: [abinit-forum] Energy selective electron density ?, Xavier Gonze, 12/02/2003
- Re: [abinit-forum] Energy selective electron density ?, Pawel Scharoch, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, torsten . schmidt, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, Pawel Scharoch, 12/04/2003
- Re: [abinit-forum] Energy selective electron density ?, torsten . schmidt, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, Pawel Scharoch, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, Xavier Gonze, 12/02/2003
- Re: mkmem =0, multidataset mode, Narayani Choudhury, 12/02/2003
- Energy selective electron density ?, torsten . schmidt, 12/02/2003
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