emin emax estep

To calculate ehe x-ray scattering factor $f'$ far from the edge (only the atomic part). The energy grid is regular in energy with estep between emin and emax. This is typically needed to find the contributions from edges other than those calculated with the DANES card. Later it may be automated. The total scattering amplitude is

\begin{displaymath}f'(Q,E) = f_0(Q) + f'(E) +if''(E)\end{displaymath}

In the dipole approximation $f'$ and $f''$ do not depend on $Q$, but this is not true with quadrupole transitions added. This is currently neglected and

\begin{displaymath}f'(E)={\rm DANES(edge)+FPRIME(all\ other\ edges) + (total\ energy\ term\ in\ fpf0.dat)}\end{displaymath}

$f_0(Q)$ is also tabulated in `fpf0.dat'; $f''$ is printed out by FPRIME and can be used to obtain the total $f'$. The total energy correction to $f'$ is given in the first line of `fpf0.dat' in Cromer-Liberman, and the more accurate Kissel-Pratt form. See our paper on elastic scattering amplitude for references and details.