[CP2K:5761] Re: accurate forces for nonperiodic calculation

[Noam Bernstein]

Thanks Matt - I did just switch to PBE, because I realized that my
previous calculations that I want these new ones to be consistent with
used PBE. I'm not sure if it's helping yet.  Unfortunately, I'm
worried that the forces are internally consistent (i.e. they're the
derivatives of a well defined energy), so you can minimize to
arbitrarily small forces, but the whole energy expression isn't
translationally invariant, so they jump when you move the molecule.
I'll test out that hypothesis using your example file.  Thanks.

    Noam