Introduction

CFcal is a Python package for performing calculations of crystal field (CF) properties of rare earth ions using the Stevens Operator formalism [K. W. H. Stevens, Proc. Phys. Soc. A 65, 209 (1952)]. Once the CF parameters have been initialized, the CF Hamiltonian can be diagonalized to determine the energies and wavefunctions of all the CF levels. These can be used to determine the magnetic susceptibility and neutron scattering spectra as a function of temperature.

Installing and Running

The latest version of CFcal can be downloaded from the CFcal Git repository.

From within the main directory, you can install CFcal using:

    $ python setup.py install

or

     $ pip install ./

To install in an alternate location, use:

    $ python setup.py install --prefix=/path/to/installation/dir