manual
quickstart
instguide
update
basis

** Next:** 35.6 Options
** Up:** 35 EXPLICITLY CORRELATED METHODS
** Previous:** 35.4 Basis sets
** Contents**
** Index**

Symmetry cannot be used in DF-LMP2-F12 calculations.
However, in MP2-F12, DF-MP2-F12, DF-RMP2-F12, CCSD(T)-F12 and UCCSD(T)-F12 calculations Abelian symmetry can be used as usual;
in these cases the preceding DF-MP2-F12 calculations will be automatically performed without symmetry, and the integrals
that are necessary for subsequent CCSD-F12 or UCCSD-F12 calculations will be transformed to the symmetry adapted basis.
This is fully automatic and transparent to the user. Note, however, that the prefix DF- turns off symmetry automatically,
and if you want to use symmetry in the HF calculations preceding the DF-MP2-F12 or DF-MP2-F12 calculations the symmetry
elements (or `AUTO`) must be specified using the `SYMMETRY` directive (setting `SYMMETRY,AUTO` works fine).

molpro@molpro.net 2018-01-19