Dear ADF users:

Is there an option in ADF which would prevent the program from
constructing the MOLECULAR orbitals from the input fragments (in this
case atoms) and write just ATOMIC orbitals of the assembled
atoms (XYZ positions of the single atoms should match the molecular
coordinates)?

Thanks,

Irina

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        Irina Novozhilova
        Department of Chemistry
        733 Natural Sciences & Math Complex
        State University of New York at Buffalo
        Buffalo, New York 14260-3000
        E-mail: chem9988_at_acsu.buffalo.edu
        Tel.: +1 (716) 645-6800 x.2218
        Fax : +1 (716) 645-6948
        *****************************************
Received on 2002-02-22 22:50:11