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d-band center calculation

PostPosted: Tue Oct 17, 2017 12:56 pm
by mdhossain
Hi,
How can i get d-band center for transition elements. I already have dos value. Any suggestion please.

Re: d-band center calculation

PostPosted: Wed Oct 18, 2017 4:03 pm
by alex
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