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#1 Re: Multiwfn and wavefunction analysis » Electron excitation analyses now exactly support TDDFT of ORCA! » 2025-12-27 14:45:12
Dear Prof. Tian Lu,
I have followed the exact procedure given in the website (http://sobereva.com/758) of full TDDFT calculations. But I get a reply of the image attached when I choose the option of Enter as given below
"1 //Hole-electron analysis
[Enter] //Load an out file with the same name as the input file in the same directory (TDDFT.out)"
Kindly help to overcome this issue. I have all the necessary files but still problem.
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