Dear wien2k users, We are working on Heusler alloy Co2FeGe. We want to calculate its cohesive energy. In reference J. Supercond Nov Magn (2016) 29:2573-2578 cohesive energy of heusler alloy has been calculated. They have calculated it by calculating the energy of the bulk material & the energy of the isolated atoms of its constituent elements. Now, our question is how can we calculate energy of isolated atoms Co, Fe & Ge?
Any response in this regard will be highly appreciated. Thanks in advance. with regards, -- Dr. Shamik Chakrabarti Research Associate Electroceramics Lab Dept. of Metallurgical & Materials Engineering IIT Kharagpur Kharagpur 721302 INDIA
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