SIMPRE is a fortran77 code based on an effective electrostatic model of point charges around a rare earth ion. It calculates the full set of crystal field parameters, energy levels and wavefunctions, as well as the magnetic properties such as magnetization and the temperature dependence of the magnetic susceptibility.

It is designed for real systems that need not display ideal symmetry, and it is able to automatically determine the orientation that results in the most compact description of the wavefunction, which usually -but not always- coincides with the calculated easy axis of magnetization.

We will be glad to receive your questions and suggestions about the software package SIMPRE. At the present time, the software is available by request.

You can download the manual here:

SIMPRE manual
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