diff --git a/docs/properties/phonopy.rst b/docs/properties/phonopy.rst index baf8b6a4..6e726735 100644 --- a/docs/properties/phonopy.rst +++ b/docs/properties/phonopy.rst @@ -1,11 +1,11 @@ Phonon calculations with phonopy ================================ -The `phonopy `_ code can calculate +The `phonopy `_ code can calculate a range of harmonic and quasi-harmonic vibrational properties and from version 2.0 onwards supports DFTB+. Information about how to install phonopy is `available -`_, it is also +`_, it is also available on conda-forge:: mamba install -c conda-forge phonopy @@ -66,7 +66,7 @@ DFTB+ output `results.tag` files). Then specify the path in the Brillouin zone you are interested in in `band.conf` (see the `phonopy documentation -`_), +`_), and post-process the phonopy data, again providing the dimensions of the the supercell repeat. This can either be on the command line or in the settings file (a `DIM` file)::