Author Topic: COSMO-RI-ADC(2) optimisations.  (Read 99 times)

AWPrentice

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COSMO-RI-ADC(2) optimisations.
« on: June 16, 2020, 04:50:04 pm »
Dear TURBOMOLE users and developers,

I'm wishing to run COSMO-RI-ADC(2) optimisations of various excited states. However, everytime I try this I get an error saying this has not yet been implemented - I'm currently using TM v7.4.1.  After reading the COSMO section of the current TURBOMOLE paper it seems that this has been implemented. I was wondering if anyone knew the correct COSMO keywords to include within the control file, or had an example that I could look over as this would be a great help.

Many thanks,

Andrew
« Last Edit: June 30, 2020, 12:46:43 pm by AWPrentice »