Author Topic: How to convert meV to THz in phonon band structure? (Read 4427 times)

395235863 · « **on:** July 4, 2016, 10:54 »

When I get the phonon band structure,Y-axis is meV. How to convert to THz?

E=(h/2pi)*w?

Thank you very much!

Anders Blom · « **Reply #1 on:** July 4, 2016, 11:10 »

1 meV= 0.24180 THz
You can always plot the data yourself in Python and change the axis unit.

395235863 · « **Reply #2 on:** July 4, 2016, 11:15 »

When I get the phonon band structure?How to know a specific line own to which mode and to which atom ?Thanks !

Anders Blom · « **Reply #3 on:** July 4, 2016, 11:19 »

That's not how it works... a band structure does not belong to a particular atom...

395235863 · « **Reply #4 on:** July 4, 2016, 11:26 »

Can we know a specific line in phonon band structure own to which mode ?

Anders Blom · « **Reply #5 on:** July 4, 2016, 11:48 »

A mode is more a point on the line than the line itself, although sometimes one speaks of modes as lines. If you want to know what kind of vibration corresponds to a particular mode (in-plane, acoustic/optical) see http://quantumwise.com/publications/tutorials/item/847-calculate-and-visualize-vibrational-modes.

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