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Hello everybody,
I have benn struggle to perform IFCT analysis with Multifwn. I have performed the TDDFT calculations in ORCA. I tryed to use the ORCA's output file to import the necessary data and run the analysis.
When I try to run the IFCT analysis the program just shoot down by itself at the moment that I define the number of fragments.
Do you have any idea where can lay the problem?
Pages: 1