PPT Slide

GSAS: Atom shift limits(so that atoms cannot shift more than a define absolute amount (Å))

• Set via EXPEDT
  • y !backup
  • l !least squares setup
  • l !least squares controls
  • a !atom shift limits
  • 0.1 !set the max allowed atom shift (0.1 Å in this example)
  • x x x !exit menus
  • x !exit expedt

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