I met into the error “error:analytical third derivatives unavailable” during the calculation.
I am not sure the cause and how to solve it. Could someone provide help?
Thanks.
I met into the error “error:analytical third derivatives unavailable” during the calculation.
I am not sure the cause and how to solve it. Could someone provide help?
Thanks.
It means you’re trying to do something like free energy minimisation with a potential model that doesn’t support 3rd derivatives. You need to change the potential model or change the calculation type.