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Socorro User's Guide

  • Introduction
  • Input/Output Files
  • Example Simulations
  • Control Tags
    • Wave function
    • Mesh control
    • Iterative Solver
    • Eigensolver
    • Charge Defects
    • Projector
    • Charge density and Potential mixing
    • Symmetry
    • Exchange-Correlation
    • Atomic representation (PAW or NCP)
    • Post-processing
    • Saving results and restarting
    • Transition state finding
    • Structural Optimization
    • Energy Minimization
    • Molecular Dynamics
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Page last modified on April 10, 2007, at 08:24 PM

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