TURBOMOLE Users Forum

TURBOMOLE Modules => Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools => Topic started by: Andreas Heyden on February 18, 2019, 12:51:17 AM

Title: Hirshfeld charges
Post by: Andreas Heyden on February 18, 2019, 12:51:17 AM

Hello,

Is there any way to compute Hirshfeld charges with Turbomole? I would like to compare Hirshfeld charges with NPA charges.

Thanks,
Andreas

Title: Re: Hirshfeld charges
Post by: uwe on February 27, 2019, 08:21:44 PM

Hi,

no, unfortunately, Hirshfeld charges are not available (date of this status: February 2019).

Sorry,

Uwe