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Dat_file

Anonymous Noel O'Boyle

This file contains, among other things, the $VEC group. The $VEC group contains the molecular orbitals and can be pasted into a subsequent input file and used as an initial guess in conjunction with including GUESS=MOREAD and NORB=<number of vectors> in the $GUESS group in the input file.


Related

Blue Obelisk Wiki: Tools_and_data_formats_for_chemical_data_handling

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