TURBOMOLE Modules > Treatment of Solvation Effects with COSMO

COSMO-RI-ADC(2) optimisations.

(1/1)

AWPrentice:
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

christof.haettig:
You need to use a more recent version. It was not yet implemented in TM V7.4.

Navigation

[0] Message Index