index ipot deg rss
The SS card can only be used with the OVERLAP card
when the atomic structure is unknown, but the distance and coordination
numbers are known, and one wants to generate an approximate EXAFS
contribution. Thus the pathfinder cannot be used in this
case. Instead, the user has to specify explicitly the single
scattering paths and their degeneracy. The OVERLAP card must be used
to construct the potentials for use with the SS card. The
This information is used to write the file `paths.dat' and is not
needed when the ATOMS card is used. To generate single
scattering paths with ATOMS, use NLEG 2.
The shell index and label used for the `feffNNNN.dat' file name.
The unique potential index identifying the unique potential
of the scattering atom.
The degeneracy (or multiplicity) of the single scattering path.
The distance to the central atom.
* index ipot deg rss generate single scattering results
SS 29 1 48 5.98 parameters for 19th shell of Cu