I have optimized the structure of a metal complex. I have also done wavefunction calculation. When I try to open the .wfn file I am getting the following message "error in CO-value". There is an answer for this question by Zahra Mohammadi but I need an explanation for the same. Also suggest a free and user-friendly software that would be an alternative to AIM2000.

More Kavitha Velappan's questions See All
Similar questions and discussions