QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ao2207 on January 5, 2018, 22:12

Title: Finding potential for ATK-ForceField
Post by: ao2207 on January 5, 2018, 22:12

I want to Generating Germanium telluride amorphous structures by using classical Molecular dynamics but i couldn't find the proper force field for these material. It would be really appreciate if anyone help me to find and add this force field to my ATK software ?

Title: Re: Finding potential for ATK-ForceField
Post by: Petr Khomyakov on January 6, 2018, 13:08

You have to search for a proper potential in the literature; you may use the google scholar and web of science for that. As soon as you find it, you may have a look at this tutorial for details of how to add the potential to ATK, https://docs.quantumwise.com/tutorials/combining_potentials/combining_potentials.html.