The crystal field contribution to the specific heat may be calculated
from the output file ic1ion.out using the program cpic1ion, e.g. cpic1ion 10 100 1 [options]
calculates the specific heat in the temperature interval 10-100 K with a step width
of 1 K. Alternatively a comparison to experimental data can be made by cpic1ion 1 2 cpexp.dat,
where the temperatures are given in column 1 and the experimental specific heat in column
2 of file cpexp.dat. The calculated specific heat is compared to the experimental data and
a standard deviation sta is calculated and output is written to stdout.
Other quantities can be calculated using the options: -s (calculate entropy (J/molK) instead of cp),
-f (calculate free energy (J/mol) instead of cp),-u (calculate magnetic energy (J/mol) instead of cp),
-z (calculate partition sum instead of cp).
