Hello,
I am working on CuIn(1-x)GaxSe2 material referenced as mp-1224147 on materials project. For my research I need the elasticity constants. Unfortunately, they are not available on material projects. Is it possible to ask for their calculation on materials project. How can I do it? Thank you for you answers in advance.
@slim unfortunately we don’t currently have a way to vote for specific calculations. However, if someone were to run the calculation using the atomate elasticity workflow, we would be more than happy to incorporate it into the DB.
– Jason
Dear Jason,
Thank you for your reply. I would be very grateful if someone could run the calculations. These data are not available in the literature. It would be very helpful for the community if we can add them to the database.
Best.