[molpro-user] Energies of different states with MCSCF.

[Andy May]

Dawid,

According to the manual:

http://www.molpro.net/info/2012.1/doc/manual/node228.html

the state directive for multi takes just a single argument, so probably 
the second argument is simply ignored. Note, this is not the same for 
rs2 program where state can take >1 argument, see:

http://www.molpro.net/info/2012.1/doc/manual/node314.html

for details.

Best wishes,

Andy

On 05/10/14 14:52, Dawid das wrote:
> Dear molpro users,
>
> Can anyone explain to me why I get exactly the same energy when I use either
> state, 1, 1
> or
> state, 1, 2
> ?
> Just look at my output files with inputs differing only with this state
> card.
> What I expect is to get the energy and wavefunction of states 1 and 2,
> respectively for above inputs.
>
>
> Best wishes,
> Dawid Grabarek
>
> Links to outputs:
> http://www.speedyshare.com/t9Zx3/PSB3-1.out
> http://www.speedyshare.com/PA5zD/PSB3-2.out
>
>
>
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