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Phosphorescent emission of Pt complex

Posted: 17 Mar 2018, 04:20
by cozch
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

Re: Phosphorescent emission of Pt complex

Posted: 17 Mar 2018, 14:20
by kennethruud
Increase .ROOTS to the number of excited states you want to calculate.


Kenneth

Re: Phosphorescent emission of Pt complex

Posted: 20 Mar 2018, 09:16
by cozch
Thank you, It works now!

Re: Phosphorescent emission of Pt complex

Posted: 20 Mar 2018, 10:27
by cozch
Thank you, It works now!