TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: marand on November 12, 2012, 04:55:43 AM

Title: Excited states with CCSD again
Post by: marand on November 12, 2012, 04:55:43 AM

Dear users AND developers ;)

I have come across the same problem as my predecessor a few topics ago, trying to calculate the excitation energies at the CCSD level of theory. It is quite annoying indeed when the instruction in the manual is nothing but brief, suggesting a straightforward procedure, the outcome of the program is only the ground state properties, and no error is reported. 

Have anyone come across a solution, or any report saying that the manual boasts of more than is really implemented (I am using Turbomole 6.4.3)?
Yours
Marcin Andrzejak

Title: Re: Excited states with CCSD again
Post by: evgeniy on November 23, 2012, 09:39:25 AM

Hi,

As I found out this feature is not available in TM 6.4.x (for technical reasons).