[CP2K-user] Odft or dft?

Varesh fsh.k... at gmail.com
Mon Oct 15 06:52:24 UTC 2018

dear all,

would you plz advice me about :

How do we decide that which way we have to do problem (e.g for one 
molecule) calculation : *Openshell or close shell*

The necessary condition for selection?

Best Regards

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