Hi everyone,
I am running Dalton2017 for the Phosphorescent emission of Pt complex. Because Dalton can not run the ECP basis sets, so I using ECPHOS. But when I check the out file, there is only one emission wavelength and one Oscillator strength. So i am wondering where is wrong in my dal file.
the attachments are the dal mol and out file.
many thanks
Phosphorescent emission of Pt complex
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- First name(s): Kenneth
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Re: Phosphorescent emission of Pt complex
Increase .ROOTS to the number of excited states you want to calculate.
Kenneth
Kenneth
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- Posts: 4
- Joined: 15 Mar 2018, 09:03
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- Affiliation: iamczhang@163.com
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Re: Phosphorescent emission of Pt complex
Thank you, It works now!
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- Posts: 4
- Joined: 15 Mar 2018, 09:03
- First name(s): cong
- Last name(s): zhang
- Affiliation: iamczhang@163.com
- Country: China
Re: Phosphorescent emission of Pt complex
Thank you, It works now!
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