pm-phonons-via-irr-derivatives
The phonon frequencies are computed from the irreducible derivatives. Various different levels of output are provided.
The following tags are required:
- point_group
- lattice_vectors
- basis_atoms
- quadratic_irr_derivatives
If there are complex irreducible derivatives, the imaginary part must be provided by the tag quadratic_irr_derivatives_imaginary. The code will print out a summary of the irreducible derivatives with varying levels of verbosity.
$ pm-phonons-via-irr-derivatives -i input.yaml --print-summary --verbosity long
There are several levels of verbosity that can be seen via tab completion.
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