[CP2K:6455] PES Scan B3LYP

[SRKC Sharma Yamijala]

On Sun, May 3, 2015 at 11:09 AM, Houwen <linu... at gmail.com> wrote:

> MULTIPLICITY 3




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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