RANGE | |||||||||||||
RANGE Specifies the range of wavenumbers in which the modes related to the ATOMS have to be tracked. If not specified frequencies >400cm-1 will be used to avoid tracking of translational or rotational modes
| This optional keyword expects a list of reals | INVOLVED_ATOMS |
| ATOMS {integer} {integer} .. {integer}
| Specifies the list of atoms on which the tracked eigenvector should have the highest value similar to looking for the vibration of a set of atoms
| This required keyword expects a list of integers | |