TURBOMOLE Users Forum

TURBOMOLE Modules => Jobex: Structure Optimization and Molecular Dynamics => Topic started by: Guangyue on June 30, 2009, 07:29:34 AM

Title: Is TZVP a proper basis set for ionic compound during optimization?
Post by: Guangyue on June 30, 2009, 07:29:34 AM

Hi,

Is TZVP a proper basis set for ionic compound during optimization?

Thanks for attention!

Guangyue