Dear Wien2k, I am working on the Heusler compound. My compound is like X2YZ type. In the density of states (DOS) calculations i got the values as bellow at the fermi level.
for total compound (X2YZ) 30.95 (states/Ry) For X 16.49 (States/Ry) For Y 4.46 (States/Ry) For Z 0.38 (States/Ry) for interstitial 9.62 (States/Ry) Here my question is that the DOS value from the interstitial region is more (it is more than Y and Z atoms contribution). How can i comment on this value?. Please give suggestions.. Thank you very much in advance. -- *P.V.SREENIVASA REDDY* *Research ScholarDepartment of Physics * *Indian Institute of Technology* *Hyderabad*
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