\BOOKMARK [0][-]{chapter.1}{Synopsis}{}
\BOOKMARK [0][-]{chapter.2}{Input File Control Cards}{}
\BOOKMARK [1][-]{section.2.1}{Complete List of FEFF8 Control Cards}{chapter.2}
\BOOKMARK [1][-]{section.2.2}{Main Control Cards}{chapter.2}
\BOOKMARK [1][-]{section.2.3}{POT: Scattering Potentials}{chapter.2}
\BOOKMARK [1][-]{section.2.4}{XSPH: Cross-section and Phase Shifts}{chapter.2}
\BOOKMARK [1][-]{section.2.5}{FMS: Full Multiple Scattering}{chapter.2}
\BOOKMARK [1][-]{section.2.6}{PATH: Path Enumeration}{chapter.2}
\BOOKMARK [1][-]{section.2.7}{GENFMT: XAFS Parameters}{chapter.2}
\BOOKMARK [1][-]{section.2.8}{FF2X: XAFS Spectrum}{chapter.2}
\BOOKMARK [0][-]{chapter.3}{Input and Output Files}{}
\BOOKMARK [1][-]{section.3.1}{Module Input and Output Files}{chapter.3}
\BOOKMARK [1][-]{section.3.2}{Descriptions of Output Files}{chapter.3}
\BOOKMARK [2][-]{subsection.3.2.1}{Intermediate Output Files}{section.3.2}
\BOOKMARK [2][-]{subsection.3.2.2}{Diagnostic Files}{section.3.2}
\BOOKMARK [2][-]{subsection.3.2.3}{Main Output Data}{section.3.2}
\BOOKMARK [2][-]{subsection.3.2.4}{Variables in the EXAFS and XANES Formulae}{section.3.2}
\BOOKMARK [1][-]{section.3.3}{Program Control Using Intermediate Output Files}{chapter.3}
\BOOKMARK [2][-]{subsection.3.3.1}{Using `paths.dat'}{section.3.3}
\BOOKMARK [2][-]{subsection.3.3.2}{Using `list.dat'}{section.3.3}
\BOOKMARK [2][-]{subsection.3.3.3}{Using `geom.dat'}{section.3.3}
\BOOKMARK [0][-]{chapter.4}{Calculation Strategies and Examples}{}
\BOOKMARK [1][-]{section.4.1}{General Comments}{chapter.4}
\BOOKMARK [1][-]{section.4.2}{EXAFS Calculation}{chapter.4}
\BOOKMARK [2][-]{subsection.4.2.1}{SF6 Molecule}{section.4.2}
\BOOKMARK [2][-]{subsection.4.2.2}{Solids}{section.4.2}
\BOOKMARK [2][-]{subsection.4.2.3}{Estimate of S02}{section.4.2}
\BOOKMARK [2][-]{subsection.4.2.4}{Configuration Averaging Over Absorbers}{section.4.2}
\BOOKMARK [2][-]{subsection.4.2.5}{Adding Self-consistency}{section.4.2}
\BOOKMARK [1][-]{section.4.3}{XANES Calculations}{chapter.4}
\BOOKMARK [2][-]{subsection.4.3.1}{Need for SCF and Additional Difficulties for XANES}{section.4.3}
\BOOKMARK [2][-]{subsection.4.3.2}{GeCl4 Molecule}{section.4.3}
\BOOKMARK [2][-]{subsection.4.3.3}{Solid: XANES and DOS}{section.4.3}
\BOOKMARK [2][-]{subsection.4.3.4}{Absolute Cross-section}{section.4.3}
\BOOKMARK [1][-]{section.4.4}{Spin-dependent Calculations}{chapter.4}
\BOOKMARK [2][-]{subsection.4.4.1}{General Description}{section.4.4}
\BOOKMARK [2][-]{subsection.4.4.2}{XMCD for the Gd L1 edge }{section.4.4}
\BOOKMARK [2][-]{subsection.4.4.3}{SPXAS}{section.4.4}
\BOOKMARK [1][-]{section.4.5}{Elastic Scattering Amplitudes}{chapter.4}
\BOOKMARK [1][-]{section.4.6}{X-ray Emission Spectra XES}{chapter.4}
\BOOKMARK [1][-]{section.4.7}{Calculation of EELS}{chapter.4}
\BOOKMARK [1][-]{section.4.8}{Local Field and Core-hole Effects \(PMBSE, TDDFT\)}{chapter.4}
\BOOKMARK [0][-]{appendix.A}{Copyright Information, Restrictions and License}{}
\BOOKMARK [1][-]{section.A.1}{Restrictions and License Information}{appendix.A}
\BOOKMARK [1][-]{section.A.2}{ADDENDUM: Government Copyrights}{appendix.A}
\BOOKMARK [1][-]{section.A.3}{FEFF8 LICENSE}{appendix.A}
\BOOKMARK [0][-]{appendix.B}{Installation Instructions}{}
\BOOKMARK [1][-]{section.B.1}{UNIX}{appendix.B}
\BOOKMARK [1][-]{section.B.2}{CRAY, SGI-CRAY, and CDC UNIX}{appendix.B}
\BOOKMARK [1][-]{section.B.3}{MS-DOS, WIN-NT,9X,ME,2K, etc}{appendix.B}
\BOOKMARK [1][-]{section.B.4}{Macintosh}{appendix.B}
\BOOKMARK [1][-]{section.B.5}{Other Machines: VMS, NEXT, etc}{appendix.B}
\BOOKMARK [0][-]{appendix.C}{References}{}
\BOOKMARK [0][-]{appendix.D}{Code Variables and Dimensions}{}
\BOOKMARK [0][-]{appendix.E}{Changes From Previous Versions of FEFF}{}
\BOOKMARK [0][-]{appendix.F}{Trouble-Shooting FEFF Problems and Bug Reports}{}