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Added by Amy Young, last edited by Amy Young on Jul 07, 2007
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Structural optimizations within DFT (Abinit code) (150' lab)

Ronald Cohen, Richard Hennig
Link to Presentation slides (in PPT or PDF) format: see attached file
Topics
  • Installation of Abinit
    • Compiling Abinit
    • Running the Abinit tests
  • Setting up your first calculation
    • Input and output files
    • Sample calculations for silicon
  • Equation of state for the stishovite phase of SiO2
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