[Ifeffit] Meaning of ldosNN

jaskirat brar jaskiratb23 at gmail.com
Tue Feb 27 02:30:19 CST 2024


Dear list

I have a question regarding DOS calculations using feff. (I am using
feff8.2)
I have calculated the DOS of V-doped Ni, with Ni as the central atom and Ni
and V as neighboring atoms. The potential indexes are
0 - Ni
1 - Ni
2 - V
I have obtained ldos00.dat, ldos01.dat, and ldos02.dat files corresponding
to the l-projected DOS for the NNth potential index.
I am not clear about the meaning of ldosNN.
Does it correspond to the DOS of the central atom modified by the presence
of the potential index NN? If yes, does ldos02 contain the effect of both
potentials 01 and 02 or that of just 02?
If this is not the case, what does ldosNN mean?

Kindly provide your comments to clarify this.

Thanks in advance.

Jaskirat Brar
FMP Lab, South Campus
IIT Mandi, H.P., India
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