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Natural transition orbitals

If natural transition orbitals (NTOs) for electronic excitations are available in files named nto_nocc and nto_vir for, respectively, the occupied and virtual NTOs, plot files for visualizing them can be generated by setting

$pointval nto 1-5

This will generate plot files for the first five occupied and virtual NTOs. The plot file are named nto_vir_n.plt, where n is the NTO index.



TURBOMOLE