[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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