[molpro-user] Active orbitals in RS2

Patrick de Pujo Patrick.de-Pujo at cea.fr
Wed Dec 13 07:07:22 GMT 2006


Using RS2 program, I have observed the max number of active orbitals would be
depend on the type of machine used.

How is the value of this maximum given ?
>From the available dynamic memory size ?
How to modify it towards larger values ?

Thank you for help.

Patrick de Pujo

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1PROGRAM * RS2 (Multireference RS Perturbation Theory)
Authors: H.-J. Werner (1993), P. Celani (1998)

 TOO MANY ACTIVE ORBITALS: 37 THIS VERSION ALLOWS 16

 ERROR EXIT
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