- #1
Hyla Brook
- 23
- 0
Dear All,
I have trouble to understand the calculation of phonon using small displacement method. I found people said the limitation of this method was that it requires the wave vector k orthogonal to the supercell size(?). Does it mean the wave vector is not any you want? why? I got really confused. Any idea is highly appreciated. Thank you!
H.B
I have trouble to understand the calculation of phonon using small displacement method. I found people said the limitation of this method was that it requires the wave vector k orthogonal to the supercell size(?). Does it mean the wave vector is not any you want? why? I got really confused. Any idea is highly appreciated. Thank you!
H.B