How to identify phonon mode
Posted: Fri Oct 21, 2022 2:46 am
Dear developers,
My system is planar Mn2B2. There are 4 atoms in the unitcell. so there are 12 modes. 3 modes in x/y/z direction for each atoms.
First I run the ph.x to get the phonon spectra as below in figure 01. I know the first column is k-path, but how can I know the last 12 columns, which column correspondense to which mode?
Then I run epw.w to get the phonon linewidth as figure 02. From the output, I can see the freq/linewidth/mode.
The quesion is : If I can draw a figure as figure 03 to get the strength distribution per k-path in the phonon spectra?
Thank you very much
My system is planar Mn2B2. There are 4 atoms in the unitcell. so there are 12 modes. 3 modes in x/y/z direction for each atoms.
First I run the ph.x to get the phonon spectra as below in figure 01. I know the first column is k-path, but how can I know the last 12 columns, which column correspondense to which mode?
- 12 modes.png (88.35 KiB) Viewed 7806 times
- linewidth.png (75.08 KiB) Viewed 7806 times
- linewidth distribution.jpg (10.58 KiB) Viewed 7806 times