UT theoretical chemistry code forum

Thaks a lot, Graeme! I'll try to calculate something )

Dear Graeme,

Thank you very much for your reply! What is a maximum number of atoms which can be treated using AKMC? I suspect that this number is restricted by VASP capabilities, but not sure.

Thanks in advance!

Best regards,

Misha

Dear all,

I am a newcomer in diffusion issues and maybe my question is quite naive, but is it possible to calculate diffusion length using AKMC code? If it is not, do you have any suggestions how to do this?

Thanks in advance!

Best regards,

Misha