Talk:FEFF Documentation

From FEFF

List of Changes to Documentation for FEFF8.4

Some of the following may not apply to both the wiki and Latex versions.

  • Basic grammatical fixes, etc
  • In the wiki version, assorted linking, formatting and other issues have been address
  • Ravel links updated (likewise with
  • Assistant updated (no longer Chiarello, phone # may need changing)
  • Year of Copyright updated to 2006
  • SPIN, XMCD, POTENTIALS, PRINT(table 2.1) cards modified, TDLDA added
  • Section 4.4 (appendix on spin-dep-calc) significanlty modified (info moved to relevant card descriptions, esp. XMCD)
    • XMCD Sum Rule normalization removed
  • Feff8.4 references added to Appendix C
  • Appendix in section 4 noting (as under development) PMBSE and TDDFT
  • Changes to 8.4 noted in Appendix E
  • Abstract and Synopsis changed (based on John's notes & obvious discrepancies)
  • fixed ordering of cards in TOC
  • values of code variables updated (nclusx=175, etc)
  • Appendix D (HEADERS/dim.h) updated with 8.4 values
  • references to wiki added
  • RSIGMA card added to latex version (previously absent)
  • HOLE and EDGE moved under POT in latex, to reflect categorization in wiki (POT refers to at least one of these cards)
  • SF6 example - format fix (bad input line)
  • EDGE, HOLE modified to note FEFF's rejection of NO/0, use NOHOLE instead
  • Added RGRID .01 to XMCD example to eliminate bad xsect.bin generation (non-numerical values)
  • SPIN and TDLDA cards, Spin-dep-calc section revised for polish & accuracy
  • Table 2.1 (print levels) has been updated
  • MS OS installation instructions expanded (App E)
  • System requirements updated to current (bigger) memory values, etc
  • Windows Installation instructions rewritten
  • notes regarding LDOS modified
  • Developers section updated with list of names/brief descriptions of roles
  • The most recent revision of the document have been incorporated into the wiki version corresponding to the July 9th release of feff8.4

Functional Changes

  • feffdoc.sty updated
  • card environment linking (via \htmlref) fixed--card links now send to proper location, with cards easily visible
  • eliminated conflict with hyperref package, eliminating hyperlink boxes - looks more polished
  • Wiki footer contents trees added for ease of navigation
  • (non-wiki) document has been modified to generate card descriptions for JFEFF (the GUI) via latex2html. There is a description in the feff84/85 latex source files.

Outstanding Issues

  • Appendix B (inst. instr.) is old (no MacOSX, etc)
  • Appendix F (troubleshooting) has not been updated for 8.4
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