[molpro-user] multi problem

[Haitao Ma]

Hi,
another problem
you gave "x,y", which means C_2v point group
however, it's not agreement with the following loops section "do 
ir1=1,#distances; do ir2=1,ir1"
please check it!

Max

On Wed, 27 Apr 2005,  wrote:

> I executed some do-loops as in the appendix and found strange result, that
> is, when the geometry is changed multi interates only one time and gets
> converged and gives the same energy for every geometries. there must be
> something wrong in the input, which I did not figure out.
> Thanks
> Xiaojun
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