|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 Rl0+1 and Rl0-1 for the l0+1 and l0-1 channels (in a.u.), and their phases will be δl0+1 and δl0-1 (in radians), respectively. These parameters are taking from the user input.