TURBOMOLE Users Forum

TURBOMOLE Modules => Riper => Topic started by: mboehme on September 09, 2016, 11:19:35 PM

Title: Hybrid functionals in Riper? (TM7.1)
Post by: mboehme on September 09, 2016, 11:19:35 PM

Hey,

I just want to know if the new module Riper also supports hybrid functionals in Version 7.1? In the manual it is stated: "no hybrid exchange-correlation functionals yet". However, I set up a test calculation and Riper confirms in the output the usage of B3-LYP. Can I trust these results? Thanks in advance!

Regards,
Michael

Title: Re: Hybrid functionals in Riper? (TM7.1)
Post by: turbomaster on September 10, 2016, 10:18:07 PM

Riper does not support hybrid functionals. It should not have run if B3-LYP is specified. I will have to check why it did not.