Re: How to set up SCF orbitals as guess orbitals for RASSCF withing a loop

Posted by Per-Olof Widmark on October 19, 2009 at 14:56:06:

In Reply to: How to set up SCF orbitals as guess orbitals for RASSCF withing a loop posted by Evgeniy on October 15, 2009 at 11:48:59:

You need to make a link prior to running RASSCF

>>> LINK name_of_scf_orbitals_file INPORB

and use the keyword

Lumorb

in the input to rasscf

Per-Olof

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