MOLCAS manual:
Next: 6.22 SINGLE_ANISO A
Up: 6. Program Based Tutorials
Previous: 6.20 FFPT A
6.21 VIBROT — A Program for Vibration-Rotation on Diatomic Molecules
The program VIBROT computes vibration-rotation spectra for diatomic
molecules. As input it uses a potential curve computed pointwise by any of
the wave function programs. It does not require other input file from any
of the MOLCAS programs, just its standard input file.
In the Advances Examples the reader will find an overview of the input and
output files required by VIBROT and the different uses of the
program on the calculation of the electronic states of the C2 molecule.
The reader is referred to section
of the user's guide for a detailed description of the program.
Next: 6.22 SINGLE_ANISO A
Up: 6. Program Based Tutorials
Previous: 6.20 FFPT A
|