Vibrations of H20: Part 3
There is also another way of viewing the vibrational info - for all irreps at once. Here we shall see how this works.
1. Instead of using V2 in the main menu, this time we shall use V3. You are taken to the menu shown below:
2. Here you can do a number of things: change masses of atoms (Am), calculate free energy (Fr) from all three frequencies, and many other things which are better suited for much bigger systems with many more frequencies.
3. Use Sa to show all eigenvalues and eigenvectors (below):
Note that there are first 6 vectors shown with the frequencies equal to -1.0000; these correspond to the 3 translations and 3 rotations and should be ignored. However, the last three frequencies are exactly the same as the ones we obtained using V2 of the main menu.
4. Using Vs it is also possible to animate each normal mode.
This brings us to an end of this tutorial tailored to vibrations of molecules. See another one for working on vibrations of crystals/surfaces.
