phonopy/example/Si-abinit

This is an example of Abinit interface.

To create supercells with displacements:

% phonopy --abinit -c Si.in -d --dim="2 2 2"

A perfect 2x2x2 supercell (supercell.in) and one 2x2x2 supercells
(supercell-xxx.in) of the conventional unit cell written in Si.in are
created. In addition, disp.yaml file is created. After force
calculation with the crystal structure in supercell-001.in, it is
needed to create FORCE_SETS file by

% phonopy --abinit -f supercell-001.out

Here .out files are supposed to contain the forces on atoms calculated
by Abinit and filenames can be chosen freely. The disp.yaml file has
to be put in the current directory. Now you can run phonon
calculation, e.g.,

% phonopy --abinit -c Si.in -p --dim="2 2 2" --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" --band="1/2 1/2 1/2 0 0 0 1/2 0 1/2"