3 votes

Exploring Phonon Dispersion in Two-Dimensional Materials: Analytical Techniques and Mode Identification

Do you know what longitudinal, transverse, acoustic, and optical mean in this context? Or you want a code that can tell you what they are? If you know what they mean, you can plot the displacements ...
Tyler Sterling's user avatar
1 vote

Inconsistencies in Phonon Dispersion Results Using Phonopy DFPT with Different Supercell Sizes

Based on your comments above, it looks like you increased k-point sampling for the 3x3x1 supercell and found the correct dispersions. It seems like the imaginary modes in the smaller cells is due to ...
Tyler Sterling's user avatar

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