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<DIV><SPAN class=103513912-08122010>Dear Wien2k users, </SPAN></DIV>
<DIV><SPAN class=103513912-08122010>There are a couple of papers on the
calculation of interatomic potentials by electronic structure calculations. I
have two metals Ni and Ti and would like to study its interactions at high
temperature; T=1400 K for which I wish to do by calculating ab initio the
interatomic potentials for Ni-Ni, Ti-Ti and Ni-Ti interactions. </SPAN></DIV>
<DIV><SPAN class=103513912-08122010>Can anybody suggest the way of doing this in
Wien2k? What is the methodology, in case it is possible in Wien2k? </SPAN></DIV>
<DIV><SPAN class=103513912-08122010>Thanks </SPAN></DIV>
<DIV><SPAN class=103513912-08122010></SPAN> </DIV>
<DIV><SPAN class=103513912-08122010>Suddhasattwa </SPAN></DIV>
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