[Pw_forum] Reg: How to find melting point

[Paolo Giannozzi]

On Thu, 2013-05-23 at 11:01 +0530, Peram sreenivasa reddy wrote:

> to find thermal properties we need the melting point temperature

not really

> I am asking that is there any possibility to find this value
> theoretically. 

Quasi-Harmonic Approximation + Lindemann criterion ... 

P.
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 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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