Re: [Ifeffit] [Ext] Meaning of ldosNN

Hi Jaskirat, Those are the s (l=0), p (l=1), and d (l=2) projected local density of states calculated using the potentials and atom geometries that you put in your model within the distance range that you told it to use when you set up the calculation. Jeff Sent from my iPhone

On Feb 27, 2024, at 12:05 PM, jaskirat brar wrote:

 This Message Is From an External Sender This message came from outside your organization. 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

_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov https://urldefense.us/v3/__http://millenia.cars.aps.anl.gov/mailman/listinfo... Unsubscribe: https://urldefense.us/v3/__http://millenia.cars.aps.anl.gov/mailman/options/...