Radial matrix elements

Choose automatic or manual so that the program calculates the radial matrix elements internally or it takes those provided by the user, respectively.

By choosing the automatic option the program will calculate internally the radial matrix elements for the core level selected by the user (e.g., 1s, 2s, etc.). This calculation is based upon Desclaux's code (Comp. Phys. Comm. 9, 31 (1975)) using the muffin-tin potential as input. The input for l₀, etc. relative to the manual option is disregarded.

When choosing the manual option the program will take the value of the initial angular momentum l₀ (e.g., 0 for s, 1 for p, etc.) as that of the core, and the radial matrix elements will have a magnitude R_l0+1 and R_l0-1 for the l₀+1 and l₀-1 channels (in a.u.), and their phases will be δ_l0+1 and δ_l0-1 (in radians), respectively. These parameters are taking from the user input.