phonopy/example/NaCl-abinit

This is an example of Abinit interface.

To create supercells with displacements:

% phonopy --abinit -c NaCl.in -d --dim="2 2 2" --amplitude=0.05

A perfect 2x2x2 supercell (supercell.in) and two 2x2x2 supercells
(supercell-xxx.in) of the conventional unit cell written in NaCl.in
are created. In addition, disp.yaml file is created. The 'amplitude'
option is optionally specified for atomic displacement distance in
Bohr.  After force calculations with the crystal structures in
supercell-xxx.in, it is needed to create FORCE_SETS file by

% phonopy --abinit -f supercell-001.out supercell-002.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 NaCl.in -p band.conf