d-band center calculation

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d-band center calculation

Postby mdhossain » Tue Oct 17, 2017 12:56 pm

Hi,
How can i get d-band center for transition elements. I already have dos value. Any suggestion please.
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Re: d-band center calculation

Postby alex » Wed Oct 18, 2017 4:03 pm

Hi there,

why do you not start with the original Norskov papers?

I'd also suggest you read the more modern articles of Jens, since this concept is - at least in the academic world - out of use.

Cheers,

alex
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