We have prepared a little piece of software which is able to do all kinds of ADP-related tasks - convert them between different formats, analyse their properties such as main-axis components, and finally, to convert VASP and PHONOPY output directly into a handy CIF file!

Please have a look at the repository where the code is developed: https://github.com/JaGeo/MolecularToolbox.

Files:


MolecularToolbox-1.0.2.zip (2017-11-30)