Dalton forum

Thank you very much Kenneth. I turned the symmetry off using the Nosymmetry keyword and is working.

Best wishes.
Federico

Thank you very much Peter!
I will read that chapter and follow your instructions!
Best wishes.
Federico

Hello community! I am trying to compute a single point with DFT including the RESPONSE option to get the phosphorescence. The problem is I want to include 352 point charges to my calculation. The first issue was that I had to include the point charges one by one as you might see in the "Mol.out" fil...

Hello community! First of all, I want to thank the developers for this wonderful software. I started using it some weeks ago. I got some troubles when computing phosphorescence (attached you may see the corresponding files). The strange thing is that I run the code for the same molecule but using di...