Dear all:

I  used MS 6.1 and MS7.0 to get W.lib file by DFTB+ Parameterization task with same settings, but the results in MS7.0 is shown strange error values.(Shown in attachment)

We using DFTB+ Parameterization task to fitting lib file by MS7.0 which is shown much lower accuracy than MS6.1.

Since the Parameterization task in DFTB+ requires the separately licensed DMol3 module, whether there are some problems in MS7.0 Dmol3 task??

Thanks!!