Contents

• Contents
• 2000-01-18: reproducing Ronny's calculations
  • GOAL
  • Results
• 2000-01-20: influence of region 1 radius on
  • GOAL
  • Results
• 2000-02-02: Reproduction of experimental data in #sakai:1999###
  • GOAL
  • Results
  • Representative input files
• 2000-02-21: with a different potential for
  • GOAL
  • Results
• 2000-02-23: changing the initial orientation of the group
  • GOAL
  • Results
  • Representative input file
• 2000-02-25: trying a different potential set #bush:1994###
  • GOAL
  • Results
  • Representative input files
• 2000-03-03: correction for partial occupation of oxygen site
  • GOAL
  • Mean field analysis
  • Relation with the ``usual'' decomposition scheme
  • Results
  • Representative input file
• 2000-03-07: using instead of in the Buckingham potential
  • GOAL
  • Results
  • Final geometry
  • Representative input file
• 2000-04-03: supercell calculation
  • GOAL
  • Layout
  • Results
  • Final geometry
  • Representative input files
• 2000-04-06: supercell calculation
  • GOAL
  • Results
  • Final geometry
  • Representative input files
• Bibliography