Vibrations of H20: Part 2
Here we learn how to obtain the vibrational information (frequencies and normal modes) after the DFT script (the one which calls VASP) was run.
1. Start tetr. Read CONTCAR file for the water molecule using 3 (VASP input) of the entrance menu, followed by the species symbols O and H.
2. Once in the main menu, type V2 which will take you to the screen below:
3. Type 1 to work on the 1st irrep (A1). New options appear as this irrep becomes active (below):
