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33.5 Finite field calculations
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33.4 Natural Bond Orbital
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33.4.1 Calling the Natural
33.4.2 Saving the NLMO orbitals (
SAVE
)
SAVE,
record.file
;
The NLMO orbitals are saved in the specified
record
, together with the NPA charges.
molpro@molpro.net
Sep 24, 2008