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604. MOLVIB: Calculation of Harmonic Force Fields and
Vibrational Modes of Molecules
by T. Sundius, Department of Physics, University of Helsinki, SF-00170 Helsinki, Finland MOLVIB is a program for the calculation of harmonic force fields and vibrational modes of molecules with up to 30 atoms. In the calculation of crystal vibrations a totality of 50 atoms divided among 11 sub-units can be treated. However, the main sub-unit should not contain more than 30 atoms. NOTE:This system has an extensive file structure and will be delivered in VAX COPY (ANSI D) format only. Lines of Code: 5200 FORTRAN 77 (VAX) |