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On 17 Dec 2016, at 14:16, ashkan shekaari <[email protected]<mailto:[email protected]>> 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. _______________________________________________ Pw_forum mailing list [email protected]<mailto:[email protected]> http://pwscf.org/mailman/listinfo/pw_forum
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