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

[Michael Banck]

On Tue, Oct 28, 2014 at 09:38:07AM +0000, Andy May wrote:
> 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.
>
> 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.

As an aside, I believe

state,1

and 

state,2
weight,0,1

will get you the energies of states 1 and 2, respectively.


Michael