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Main / Catalog / Section12

QCMP103. 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.

Lines of Code: 5200 FORTRAN (Microsoft v. 4.01)

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