[Pw_forum] ld1 & search of ghost states

[Lorenzo Paulatto]

On Thu, 12 Feb 2009 18:32:10 +0100, Latévi Max LAWSON DAKU <Max.Lawson at unige.ch> wrote:
>        WARNING! Expected number of nodes:   0=     2-  1-  1, number of
> nodes found:  1.

The specific Warning means that the first iteration of the self-consistency process found the wrong number of nodes (e.g. not the one you asked for), but the fact that convergence actually succeeded means that it could later recover and produce something.

It doesn't necessarily means that there is a ghost state. If you are putting semicore states in valence, you will have two states (let's call them inner and outer) with the same angular momentum. When you are generating the PP you can either ask for the external state to have 0 nodes (e.g. setting L=S+1) or one node (L=S+2. Both choices are ok, which one is better depends on the details.

regards


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