Author Topic: Finding potential for ATK-ForceField  (Read 2957 times)

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Offline ao2207

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Finding potential for ATK-ForceField
« 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 ?

Offline Petr Khomyakov

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Re: Finding potential for ATK-ForceField
« Reply #1 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.