Crystal optimization

Dear all, is it possible to optimize the geometry of crystals in the cell with Psi4?
a) If YES, how a script would look like?
b) How are the cartesian coordinates and a triclinic or monoclinic crystal specified?

In case the answer to the main question is NO, does anybody can suggest an OPENSOURCE program?

Thank you

I think you’d want a periodic boundary condition (PBC) code for that, and Psi4 won’t do it, sorry.

I think something like Quantum Espresso should do what you want.

QE is already installed and I will try it out. Thank you.