GrEv
grevgen13@gmail.com
I found in the manual the following recommendations for MP2 geom. optimization for large systems:
$MP2GRD DBLBF=.F. FUSED=.F. ASYNC=.T. $END
I wonder why it is better to have DBLBF=.F. FUSED=.F., which are both .T. by default?
Many thanks!
Best regards,
Evgeniy