README

This package can be used to compute crystal-field parameters whithin a DFT+Hubbard I
calculation, according to the method described in Physical Review B 96 (15), 155132

Installation:
- You will need the TRIQS package, more specifically its dft_tools and hubbardI modules,
to use this package. They can be found at http://ipht.cea.fr/triqs, or at https://github.com/TRIQS
- Simply add the main folder of this package to your PYTHONPATH
- The module can now be imported as 'import CFHUB1'

Usage:
- The CF_dmft_utils class contains all the necessary methods to compute the crystal
field parameters of a material in a DFT+Hubbard I calculation, if used with the TRIQS
package and its Hubbard I impurity solver.
- the fit_CF_params file contains methods to perform the fitting of the actual
CF parameters from a converged projected, local density matrix.
- The NdCo5 folder contains the necessary files to perform such a calculation on a
particular rare-earth oxide.
- The README file in the examples folder contains guidelines on how to perform
such a calculation in practice