[molpro-user] ?ERROR IN MATROP: UNKNOWN LOAD TYPE: FOCK
Seth Olsen
s.olsen1 at uq.edu.au
Fri Jun 15 03:06:14 BST 2007
Hi Molpro-Users,
I have come across an error in MATROP which raises some immediate
questions. The error is generated by a load,*name*,fock,*rec* command,
and is listed in the subject. This is apparently backed up by the
manual, which indicates that there is no specific load type
corresponding to a fock matrix. This makes me wonder:
1. Why can you save a Fock matrix type if you can't subsequently load it
in MATROP?
2. If the answer to (1) is that you may want to use a modified Fock
operator in an SCF calculation (which I would), why can I not find any
facility listed in the manual which tells you how to specify which Fock
operator is used in an SCF procedure?
Cheers,
Seth
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