d-band center calculation

Queries about input and output files, running specific calculations, etc.


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mdhossain
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d-band center calculation

#1 Post by 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.

alex
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Re: d-band center calculation

#2 Post by 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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