[Pw_forum] melt

[Marzari Nicola]

Sugino and Car PRL ~1995

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On 17 Dec 2016, at 14:16, ashkan shekaari <shekaari at gmail.com<mailto:shekaari at gmail.com>> wrote:

Dear experts,
Is it sensible trying to calculate the melting point of a semiconducting material by applying CPMD on its unit cell, or, one has to apply MD simulations on a large super cell of the material containing thousands of atoms?
--
Regards,
Ashkan Shekaari
Plasma Physics Research Center
Science and Research Branch
I A U, 14778-93855 Tehran, Iran.
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