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# Questions tagged [convergence]

Questions related to whether the sequence of iterates generated by an iterative method has one or more limit points, and if those limit points have the correct properties.

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30 votes
3 answers
5k views

### What is the principle behind the convergence of Krylov subspace methods for solving linear systems of equations?

As I understand it, there are two major categories of iterative methods for solving linear systems of equations: Stationary Methods (Jacobi, Gauss-Seidel, SOR, Multigrid) Krylov Subspace methods (...
• 12k
19 votes
2 answers
3k views

### How to determine if a numerical solution to a PDE is converging to a continuum solution?

The Lax equivalence theorem states that consistency and stability of a numerical scheme for a linear initial value problem is a necessary and sufficient condition for convergence. But for nonlinear ...
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17 votes
1 answer
2k views

• 12k
13 votes
1 answer
383 views

### Non-monotonic convergence in fixed-point problem

Background I am solving a variant of the Ornstein-Zernike equation from liquid theory. Abstractly, the problem can be represented as solving the fixed point problem $A c(r)=c(r)$, where $A$ is an ...
• 735
11 votes
3 answers
2k views

### Why does iteratively solving the Hartree-Fock equations result in convergence?

In the Hartree-Fock self-consistent field method of solving the time-independent electronic Schroedinger equation, we seek to minimize the ground state energy, $E_{0}$, of a system of electrons in an ...
• 217
11 votes
2 answers
1k views

### Which iterative linear solvers converge for positive semidefinite matrices?

I want to know which of the classic linear solvers (e.g Gauss-Seidel, Jacobi, SOR) are guaranteed to converge for the problem $Ax=b$ where $A$ is positive semi definite and of course $b \in im(A)$ (...
• 599
11 votes
1 answer
506 views

### How to establish that an iterative method for large linear systems is convergent in practice?

In computational science we often encounter large linear systems which we are required to solve by some (efficient) means, e.g. by either direct or iterative methods. If we focus on the latter, how ...
11 votes
1 answer
221 views

### Implications of thermodynamic inconsistency in CFD calculations

During my PhD work, I had to use tabulated values of thermodynamic properties of gases in some Computational Fluid Dynamics (CFD in short) simulations. My tables are discretized in temperature and ...
• 111
10 votes
1 answer
1k views

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8 votes
0 answers
234 views

### Why not use the preconditioned residual as termination criterion for preconditioned CG?

I have a Poisson equation with wildly varying material parameters (1 .. 1000), wildly varying element sizes (5 nm .. 100 um) and some quite anisotropic (tetrahedral) elements (100 nm x 100 um). I use (...
• 2,141
8 votes
0 answers
586 views

### DIIS method to accelerate SCF convergence for stretched geometries

I am implementing from scratch an Hartree-Fock calculation in the STO-3G basis set to perform Born-Oppenheimer molecular dynamics. I have a Restricted Hartree-Fock procedure that can reproduce very ...
8 votes
0 answers
171 views

• 436
6 votes
1 answer
308 views

### What causes periodic humps in residual plots?

When using many iterative methods, whether for solving linear systems, looking for steady-state convergence in CFD, etc., the semilog plot of the residual often shows "humps" as the residual decays. ...
• 608
6 votes
1 answer
16k views

### The definition of asymptotic convergence?

What is the difference between convergence and asymptotic convergence? Why say the convergence is asymptotic?
• 133
5 votes
2 answers
1k views

### Sufficient conditions to ensure convergence of the conjugate gradient method

I know that a conjugate gradient method is guaranteed to converge to the solution of a linear system if the matrix is positive definite. I'm working with a family of matrices that have the following ...
• 12k
5 votes
3 answers
183 views

4 votes
2 answers
11k views

### Error in result of finite-difference approximation when refining

I have calculated the first derivative of following equation using Euler method (first order), Three point Finite Difference method (second order) and Four point Finite Difference method (third order)....
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