- Date: 2017/03/06 22:41
- Name: Artem Pulkin
- Dear community,
I am happy to present a tool called 'openmx-hks' to operate OpenMX HKS files. Currently it has a very basic functionality, however, it is already capable of extracting the KS Hamiltonian and overlap matrices into a Matlab .mat file. With this data, it is possible to perform various calculations (i.e. band structures, transport, etc.).
I wrote it as a lightweight alternative to the "Interface for developers":
with a particular idea to play around tight binding Hamiltonians in python/scipy and Matlab. The source codes are hosted on github:
Feel free to comment there.