This program allows to perform CI calculations for d orbitals, by modifying number of electrons crystal fields and spin orbit coupling.
It provides a variaty of results in pdf format, and allows to sweep over the different parameters of the system.
This is still a version under heavy development.
Execute the script install.py
Execute "tranci" in a terminal
This library requires Python3, together with the libraries
- numpy
- scipy
- matplotlib
The "pdflatex" command should be installed in the system to show the pdf summary.
This program works both in Mac and Linux.