Phaseshifts-plots.pdf

The Phaseshifts-plots.pdf file is generated during the initialization, and serves purely for information. It displays the phase shifts that occur when an electron of a given energy and angular momentum number L scatters at an atom in a given site. One plot is generated for each site and element that can occupy that site. The data is displayed exactly as found in the PHASESHIFTS file, without any processing.

The order of the plots is the same as in the PHASESHIFTS files, and reflects the order that viperleed.calc expects to find for the elements and/or sites. If you supplied PHASESHIFTS manually, instead of generating them automatically, make sure that the phase shifts have been correctly assigned to their given elements/sites.