[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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