Quick answer: no, there is no reason.
Paolo
On Thu, Oct 15, 2020 at 2:25 PM pboulet wrote:
> Dear all,
>
> This question is more for developers. Is there a reason why the only
> threshold reported in the output file is about the wave function? why not
> the energy, and eventually forces and
Dear all,
This question is more for developers. Is there a reason why the only threshold
reported in the output file is about the wave function? why not the energy, and
eventually forces and cell stress?
Best,
Pascal
Pascal Boulet
—
Professor in computational materials - DEPARTMENT OF
