polarizability.py
is for static polarizability: to calculate the polarizability of a given configuration.
staticraman.py
is for static raman activities. The result is slightly larger than the Gaussian result.
test.ipynb
is a test for the two modules above.
together.ipynb
is for debugging and it does not depend on the modules above. You can run the cells one by one to get both the polarizability and the raman activity.