Alex Granovsky
gran@classic.chem.msu.su
On Thu Apr 18 '13 9:14am, Patrick SK Pang wrote
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>Dear Alex,
>Also, I want to make sure that ISTATE=1 in CIS requests the calculation on the first excited state. However, in GUGA, IROOT=2 triggers the calculation on the first excited state. Right?
Yes you are correct.
Kind regards,
Alex