[Octopus-devel] Geometry optimization failure

[Xavier Andrade]

Hi Micael,

Using the smaller spacing, they did improve considerably. With the normal
spacing, the "optimized" geometry was worst.

X

On Tue, 2 Oct 2007, Micael Oliveira wrote:

> Yes, but how about the forces and the geometry? Just look at the
> static/info file and at the geometry at the end of the iteration. Do
> they improve after reducing the spacing? Does the geometry change?
>