Dear Jaskirat, Ldos00 corresponds to 0 Ni Ldos01 corresponds to 1 Ni Ldos03 corresponds to 2 V The columns within each file correspond to s,p,d,f (0,1,2,3 respectively). Hope this helps. Best regards, AlexeySent from my T-Mobile 4G LTE Device--------

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Ldos00 corresponds to 0 Ni

Ldos01 corresponds to 1 Ni

Ldos03 corresponds to 2 V

The columns within each file correspond to s,p,d,f (0,1,2,3 respectively).

Sent from my T-Mobile 4G LTE Device

-------- Original message --------

From: jaskirat brar <jaskiratb23@gmail.com>

Date: 2/27/24 09:30 (GMT+01:00)

To: ifeffit@millenia.cars.aps.anl.gov

Subject: [Ifeffit] Meaning of ldosNN

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 - VI have

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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