How to set KMESH_INTERPOLATE?

[gangliu-github]

I know the KMESH_INTERPOLATE should be commensurate with the supercell size of the harmonic force constant. If the supercell is 2 2 2, can the KMESH_INTERPOLATE be set to 4 4 4 or larger?

[ttadano]

When the harmonic force constants are computed using a 2x2x2 supercell, KMESH_INTERPOLATE should be 2x2x2 or 1x1x1 (or anisotropic settings such as 1x1x2 are also possible for anisotropic systems).

You can also set KMESH_INTERPOLATE = 4 4 4, and the code runs without raising an error, but I do not recommend it. If you want to set KMESH_INTERPOLATE to 4x4x4 or denser, I recommend that you compute the harmonic force constants using the corresponding size of the supercell.

[gangliu-github]

I see. Thanks a lot!