Dear Jaskirat,Ldos00 corresponds to 0 NiLdos01 corresponds to 1 NiLdos03 corresponds to 2 VThe 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
-------- Original message --------From: jaskirat brar Date: 2/27/24 09:30 (GMT+01:00) To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] Meaning of ldosNN
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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 - VI have
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Dear listI 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 are0 - Ni1 - Ni2 - VI 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 BrarFMP Lab, South CampusIIT Mandi, H.P., India
