Hello,
I've run an orbital localization procedure during a geometry
optimization and after 1000 iterations it didn't converge. It never even
went past the first orbital localization cycle.
Is there any way I can alter the orbital localization parameters - no.
of cycles, convergence criteria etc. ?
The manual is not at all explicit on this issue.
-- "«Go on!» Palavras d’El-Rei / Não vejo razão para plebiscito / Não julgo difícil o reconhecimento" Aires de Ornelas 14 Jan. 1919 Nuno A. G. Bandeira - IST, Lisbon --------------------------------------Received on 2003-07-23 05:04:05
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