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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