[CP2K:6455] PES Scan B3LYP

[Houwen]

I thought it woud be a calculation from a triplet ground state to a singlet 
excietd state.  

Then, what shall I do if I want to get an excited singlet state energy ?

On Sunday, May 3, 2015 at 1:51:54 PM UTC+8, Sharma SRK Chaitanya Yamijala 
wrote:
>
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> On Sun, May 3, 2015 at 11:09 AM, Houwen <lin... at gmail.com <javascript:>> 
> wrote:
>
>> MULTIPLICITY 3 
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>  
>
> Hi,
> As you have given "MULTIPLICITY 3", I hope you should get a triplet state.
>
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> ********************************************************
> *Chaitanya Sharma,*
> *Prof. Pati'*s group,
> Chemistry and Physics Materials unit,
> JNCASR, BANGLORE,
> Lab:: (080-2208) 2581, 2809
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