[Pw_forum] D-band center calcaulation

Stefano Baroni baroni at sissa.it
Thu Sep 25 14:00:49 CEST 2014

You just compute the DOS projected on the relevant d orbital, and than compute it first moment … SB

On 15 Sep 2014, at 22:55, Muhammad Adnan <adnansaqlain at gmail.com> wrote:

> Hi everyone
> I am posting this question for someone to help.
> how can i calculate D-band center? what sort of calculations i need to do.
> Adnan
> doctoral student
> UFJF, MG, Brazil
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Stefano Baroni -  SISSA, Trieste - http://stefano.baroni.me, stefanobaroni (skype)

Le monde ne sera sauvé, s'il peut l'être, que par des insoumis [André Gide]

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