Patrick SK Pang
pangsiukwong@gmail.com
Can the input work when firefly 7.1g is used? I found firefly 7.1g could not know "numder=.t.". If using firefly 7.1g, how can I revise the input?
Regards,
Patrick
On Thu Apr 18 '13 10:19am, Alex Granovsky wrote
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>Hello,
>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