Hi Users,

I would like to ask about the keyword Opt_Coordinate_System in Dmol V 2017r2.

I build the files using MS and run the calculations remotely.  The outmol file gives me the following message

Warning: switching to optimization with Cartesians
  Switching to Cartesian coordinates
So, I add the keyword

Opt_Coordinate_System  cartesian.

and then the calculations end successfully.
Is that action correct?  Or I should amend the .car file before running the calculations?

Looking forward to hearing from you soon

Regards