Add in a better Hessian for optimizing the lattice-minus the typo, and easier to read by pulling lattice hessian out into a subroutine-should have done that from the start
Add in a better Hessian for optimizing the lattice-minus the typo, and easier to read
by pulling lattice hessian out into a subroutine-should have done that from the start





rangsimanketkaew/NWChem