I know that temperature-dependent ECI can be obtained in ATAT’s emc2 module. Can it be obtained using icet? If yes, can you give me some guidance? Thanks!
How are these temperature dependent ECIs defined and calculated?
I know that temperature-dependent ECI can be obtained in ATAT’s emc2 module. Can it be obtained using icet? If yes, can you give me some guidance? Thanks!
How are these temperature dependent ECIs defined and calculated?