<div dir="ltr">Dear Gerhard,<div><br></div><div> Thank you for your response. It will be helpful.</div><div><br></div><div>with regards,</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Sep 19, 2016 at 9:20 PM, Fecher, Gerhard <span dir="ltr"><<a href="mailto:fecher@uni-mainz.de" target="_blank">fecher@uni-mainz.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">If you read that paper correctly then you find after equation (3) that they used a lattice parameter of 10 A for the isotropic case,<br>
<br>
Maybe you will find out whether or not that is a good value,<br>
... or think about it<br>
<br>
<br>
Ciao<br>
Gerhard<br>
<br>
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:<br>
"I think the problem, to be quite honest with you,<br>
is that you have never actually known what the question is."<br>
<br>
==============================<wbr>======<br>
Dr. Gerhard H. Fecher<br>
Institut of Inorganic and Analytical Chemistry<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
and<br>
Max Planck Institute for Chemical Physics of Solids<br>
01187 Dresden<br>
______________________________<wbr>__________<br>
Von: Wien [<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.<wbr>tuwien.ac.at</a>] im Auftrag von shamik chakrabarti [<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a>]<br>
Gesendet: Montag, 19. September 2016 16:45<br>
An: A Mailing list for WIEN2k users<br>
Betreff: [Wien] Calculation of Cohesive Energy of Heusler Alloys<br>
<div><div class="h5"><br>
Dear wien2k users,<br>
<br>
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?<br>
<br>
Any response in this regard will be highly appreciated.<br>
<br>
Thanks in advance.<br>
<br>
with regards,<br>
<br>
--<br>
Dr. Shamik Chakrabarti<br>
Research Associate<br>
Electroceramics Lab<br>
Dept. of Metallurgical & Materials Engineering<br>
IIT Kharagpur<br>
Kharagpur 721302<br>
INDIA<br>
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</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Dr. Shamik Chakrabarti<br>Research Associate</div><div><span style="font-size:12.8px">Electroceramics Lab</span><br>Dept. of Metallurgical & Materials Engineering<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA</div></div></div></div></div>
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