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Hello!
I'm a new Multiwfn user, and I wanted to perform Hirshfeld analysis for 5 lowest excited states obtained by TDDFT. According to manual section 4.18.13, first I need to generate natural orbital files corresponding to one of the excited states, but when I tried reading the .out file (after reading the .fchk file), multiwfn just closes. For my calculations I've been using Q-Chem, so I suppose there's a problem with the format. Is there anything I can do to use Q-Chem files to analyse the excited states?
Pages: 1