Author Topic: EMT Calculator has no parameter  (Read 2263 times)

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Offline DSarkar

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EMT Calculator has no parameter
« on: March 7, 2016, 01:38 »
I was trying to simulate a Si-Ge interface for some MD modeling. The potential chosen was Tersoff-SiGe-1989. There was a message saying that the EMT calculator has no parameters for Ge. What does this mean? How may that affect my simulation? Is there a way around? I was trying to find the interfacial thermal resistance between Si and Ge, and was following the methodology described in the VNL tutorials for interface between Si(100) and Si(110).

Offline Jess Wellendorff

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Re: EMT Calculator has no parameter
« Reply #1 on: March 7, 2016, 08:39 »
No need to worry. The message that The EMT calculator has no parameters for Ge is simply a service message: It explains why EMT does not appear in the list of available parameter sets. So this does not affect your calculations at all.

Offline DSarkar

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Re: EMT Calculator has no parameter
« Reply #2 on: March 23, 2016, 07:29 »
Thank you.