Dear All
I meet a problem when I calculate single point of TS with MP2 method.
I have tried guess=harris,huckel,indo,core... the errors are the same just
as follow:
"Inaccurate quadrature in CalDSu.
Error termination via
Lnk1e in /home/chem/lbmce/g03/l801.exe"
However, the two reactants end normally. I really feel confused.
Hope anyone can help me. Thanks very much.
the head of the file is : #p mp2/gen scf=tight guess=..(or no guess)
and the tail of the file:
1 2 3 4 5 6 7
6-311++g(2df,2p)
****
8 9 10 11 .....
6-311+g(d.p)
****
sincerely vera