Empirical DFT

Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
(It is not necessary to upload input files, they can be found in the output file.)

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Posts: 35
Joined: 10 Jan 2014, 07:05
First name(s): kaushik
Last name(s): hatua
Affiliation: IIEST India
Country: India

Empirical DFT

Post by kaushikhatua » 25 Nov 2015, 17:46

I want to run dispersion corrected dft response calculation by .DFTD3 keyword. Although I defined the required parameters for Dalton 2013.4 but getting error saying parameters undefined. Any sample input file would be very helpful for me.

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