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24.3.1 The BRUECKNER directive

BRUECKNER,orbbrk,ibrstr,ibrueck,brsfak;

This directive allows the modification of options for Brueckner calculations. Normally, none of the options has to be specified, and the BCCD command can be used to perform a Brueckner CCD calculation.

orbbrk:
if nonzero, the Brueckner orbitals are saved on this record.
ibrstr:
First iteration in which orbitals are modified (default=3).
ibrueck:
Iteration increment between orbital updates (default=1).
brsfak:
Scaling factor for singles in orbital updates (default=1).



molpro@molpro.net 2014-07-25