\(\newcommand{\AA}{\text{Å}}\)

Visualisation CLI: lmodea-k-vis

lmodea-k-vis writes .phonon and/or .json visualisation files by reading existing lmodea.h5 and dynmat.h5 files. It does not perform local-mode analysis.

Usage

lmodea-k-vis [--format castep json] [--vis-types ain]

Options

--format

Output format or formats. castep writes normal.phonon, local.phonon, and, when Wilson matrices are available, internal.phonon. json writes normal.json, local.json, and, when Wilson matrices are available, internal.json. By default both formats are written.

-v / --vis-types

Displacement datasets to write. Use a combination of n for normal modes, a for adiabatic local-mode vectors, and i for internal-coordinate distortions. Default: ain.

Required datasets

normal.*

Requires normal modes in lmodea.h5. Run lmodea-k with –write-normal.

local.*

Requires adiabatic vectors in lmodea.h5. Run lmodea-k with –write-adiabatic.

internal.*

Requires Wilson matrices in lmodea.h5. Run lmodea-k with –write-wilson.

Missing datasets produce warnings and are skipped.