Generating .47 file
alintoth opened this issue · 0 comments
alintoth commented
Dear Zorkzou
When converting Turbomole calculations into a molden file (using tm2molden) i have encountered a certain problem that I am not able to solve. When using M2A to generate the .47 file, i have noticed that my open-shell calculation ends up as a closed-shell and when using the NBO7 program with the E2PERT keyword, it gets completely ignored. Could you please guide me in any way possible.
Kind regards
SGJ