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##

14.2 Imported hamiltonian

It is possible to import the second-quantised hamiltonian completely
from outside MOLPRO. In order to do so, it is necessary to
set up a job that simulates the desired calculation by having a basis
set of exactly the same dimensions as the one to be imported. One can
then import the hamiltonian using the command
`HAMILTONIAN`

,*filename*

*filename* is the name of a file that contains the hamiltonian in
FCIDUMP
format, which can be produced using Molpro's `{FCI;DUMP}`

facility, or by another method.

Note that this facility is fragile, and is limited to energy-only
calculations. Attempts to calculate gradients or other properties will
inevitably fail. At present, the implementation does not support the
use of point-group symmetry.

molpro@molpro.net 2017-12-13