QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: DSarkar on March 7, 2016, 01:38

Title: EMT Calculator has no parameter
Post by: DSarkar 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).

Title: Re: EMT Calculator has no parameter
Post by: Jess Wellendorff 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.

Title: Re: EMT Calculator has no parameter
Post by: DSarkar on March 23, 2016, 07:29

Thank you.