[CSC 335] Iterative Solvers, Norm, and convergence

[Andrew J. Pounds]

I won't go through all of the math here, but the norm of a complex
number $a+bi$ is generally computed as

$\sqrt{a^2+b^2}$

As some of you are working on completing your NMR project with DFT I
should mention that the iterative solver may not always converge as in
many instances the spectral radius is greater than 1 or the matrices are
not strictly diagonally dominant.   In those cases your code should
print out something like

"Iterative solver failed to converge after xxx iterations with norm yyyyy"

and then terminate.

-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Director of the Computational Science Program
Mercer University,  Macon, GA 31207   (478) 301-5627

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