RI-MP2 calculations
hcmch at cup.uni-muenchen.de
hcmch at cup.uni-muenchen.de
Fri Jan 23 12:42:16 GMT 2004
Dear Molpro users,
I would like to do RI-MP2 calculations with Molpro (2002.3 and 2002.6) but I
get the following error message:
1PROGRAM * MP2 (Closed-shell) Authors: C. Hampel, H.-J. Werner, 1991, M.
Deegan, P.J. Knowles, 1992, U. Schumann, 2001
INPUT ERROR ON PAIRS CARD
ERROR EXIT
Can anyone tell me, what this error means? Can someone send me an example
input for RI-MP2 calculations, please?
Thanks a lot,
Hans-Christian Mueller
More information about the Molpro-user
mailing list