[Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc

[Eduardo Ariel Menendez Proupin]

As Nicola said, what matters are the energy differences. Please, check that
the forces and stresses are converged. From a practical point of view that
is enough. To be happy, I prefer that the energy also converge. I think the
non convergence is the (frequent) fault of the pseudopotential. If you are
worrried enough, try to generate a new pseudopotential, and chek that is
yet transferible.
Cheers
Eduardo Menendez
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111121/49b64371/attachment.html>