I want to put a derivative of a value using alagator language, but if I use grad() or others operators in Equation section, I will get the double derivative of a value or just 0.
Aleksey Konstantinovich Kozlov I would assume that your function depends on another variable that changes during the process simulation, such as vacancies or interstitials, meaning it is not constant through time.
To double-check, set pdbSet InfoDefault 2 or pdbSet InfoDefault 3 at the beginning. This will make the log file more verbose, allowing you to see exactly what the simulator is doing to your model.
Practically, just follow the model equation, plug it in, run the simulation, and check whether the output changes when you vary the key parameters.
I hope this helps!
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