Code for elastic-constants-isothermal-cubic-crystal-npt test

OpenKIM
1

Hi there,

I’m looking to calculate elastic constants for nickel at a finite temperature (300K) and have found the elastic-constants-isothermal-cubic-crystal-npt test. However when clicking into this test I can’t find any code to download, is this test currently available for any material?

Thanks,

Sarah

2

Hi Sarah,

We do not currently have a test to compute elastic constants at finite temperature in OpenKIM. If you're interested, we'd be glad to work with you on this and help you create a test based on your work that will calculate the elastic constants at a given temperature for all potentials in our system. Let us know.

Best,

Ellad