Examples of using the Atomic Simulation Environment for making research easier. See their installation guide. Installation on OS X should now be as simple as:
brew install pygtk
pip install python-ase
Requires spglib to be installed.
pip install spglib
To run:
get_spg.py -f CONTCAR.zincblende
convert_structure.py -f 958456.cif
compare_structures.py
ipython notebook ase-db.ipynb
ipython notebook ForceFields.ipynb
ipython notebook SiBandsASE.ipynb