Dear Dr Palm,
There is a bug in version 2002.6 which appears when the lmp2 and optg
commands are combined. If you change lmp2 to mp2;local then the calculation should work.
Best wishes, Nick Wilson
Ludger Palm wrote:
Dear molpro users,
I encountered a problem when trying to run a geometry optimization with local mp2.
The lmp2 method works fine (with and without the multp option) for a single point calculation but aborts when I try to run a geometry optimization using the optg option printing the error message:
********************************************************************************************************************************
ERROR IN POSINP: CODE MP2 NOT FOUND
ERROR EXIT CURRENT STACK: MAIN
**********************************************************************************************************************************
I attach my input and output files.
What's wrong?
> Yours sincerely / Mit freundlichen Gruessen > > Dr. Ludger Palm
