Contents

• Packaging
  • ``getg''
    • Debugging
  • ``ludcmpp480'' and ``lubksbp480''
    • Debugging
• Initial Performance
  • Convergence Rate
  • Run time
• Broyden Solver
  • Bookkeeping
    • Debugging
  • Improved initial guess
  • ``broyden''
    • Matrix G and vector u
      • Declarations:
      • Residual vector :
      • Formation:
    • Solution of G b = u
    • Formation of final Rho[it+1]
  • Convergence rate
• Optimization
  • Calls to dvector() and free_dvector()
  • Calls to rk4p480()
  • Calls to derivs_Schrodinger()
  • Calls to exc() and excp()
• Uranium
• Inner-loop operations
  • timer()
  • Other inner-loop operations
• Basic Linear Algebra Subroutines (BLAS)
  • BLAS2
  • BLAS3
• ``test_getg.c''
• ``test_lu.c''
• ``timer.c''
• timer() for Windows
• About this document ...