Dear all.
I cannot figure out how to tell GULP to impose nonlinear constraints on fitting variables:
smelectronegativity
Ga 3.15 2.85 1.0 1.0 0.0 0.0 0 0 1 1
Here, I want to set the bounds for the parameters zeta (third number) and Qcore (fourth number) as zeta>0 and 0<Qcore<31. I don’t see how (or whether) I can use the constrain command for that.
Many thanks,
Roman