phonon.mode¶
(
- data_context,
- **kwargs
)
Describes a collective vibration of atoms in a crystal.
A phonon mode represents a specific way in which atoms in a solid oscillate around their equilibrium positions. Each mode is characterized by a frequency and a displacement pattern that shows how atoms move relative to each other. Low-frequency modes correspond to long-wavelength vibrations, while high-frequency modes involve more localized atomic motion.
frequencies
path
read
selections
dict
Returns possible alternatives for this particular quantity VASP can produce.
The returned dictionary contains a single item with the name of the quantity mapping to all possible selections. Each of these selection may be passed to other functions of this quantity to select which output of VASP is used. Some quantities provide additional elements which can be passed as selection for other routines.
Returns
dict- The key indicates this quantity and the values possible choices for arguments to other functions of this quantity.
to_dict
dict
Read structure data and properties of the phonon mode into a dictionary.
The frequency and eigenvector describe with how atoms move under the influence of a particular phonon mode. Structural information is added to understand what the displacement correspond to.
Returns
dict- Structural information, phonon frequencies and eigenvectors.