« previous next »
Pages: [1]

Author Topic: COSMO-RI-ADC(2) optimisations.  (Read 12723 times)

AWPrentice

  • Newbie
  • *
  • Posts: 3
  • Karma: +0/-0
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 »
Logged

christof.haettig

  • Global Moderator
  • Sr. Member
  • *****
  • Posts: 291
  • Karma: +0/-0
    • Hattig's Group at the RUB
Re: COSMO-RI-ADC(2) optimisations.
« Reply #1 on: July 06, 2023, 02:44:47 PM »
You need to use a more recent version. It was not yet implemented in TM V7.4.
Logged
Pages: [1]
« previous next »