How to export a molden file of the localized molecular orbitals
Hi everyone,
There is a way to export the localized molecular orbitals (LMO) to a "molden" file, obtained from a calculation of J-coupling? (When I export the molden file with -get "molden.inp", only export the canonical molecular orbitals using in the calculation)
Besides that, there is a way to know the composition of atomic orbitals (1s, 2p, 3d) to each LMO?
Thank you very much in advance,
Daniel Bajac