Calculation result
Charts and diagnostics
Iteration history
| Iter. | Input | Map | Output | Residual | Update | Free energy | Mixing | Method | Time |
|---|
Sweep results
| Pass | Parameter | Value | Solution | Residual | Energy | Phase | Stable | Iterations |
|---|
Alternative solutions
Formula used
The application solves a fixed-point equation x = F(x; p). It reports the residual R(x) = F(x; p) − x. Convergence requires small residual and update norms.
Linear mixing uses xn+1 = xn + αR(xn). Newton methods solve a numerical linearization. Stability comes from the map Jacobian and available free-energy curvature.
Curie–Weiss: m = tanh[(J z m + h)/(kB T)]
Antiferromagnet: mA = tanh[(h − J z mB)/(kB T)]
BCS: Δ = 2 g N(0) ∫ Δ tanh(E/2kBT)/(2E) dε
Hubbard closure: nσ = f(μ ± h − U n−σ)How to use this calculator
- Select a built-in physical model or custom equations.
- Enter all physical parameters using consistent units.
- Choose one initial state or enable multiple starts.
- Use adaptive mixing for a robust first calculation.
- Set tolerances, iteration limits, and derivative controls.
- Enable continuation sweeps for phase boundaries and hysteresis.
- Inspect convergence history, free energy, and stability warnings.
- Export the complete configuration and numerical results.
Implementation notes and limitations
Numerical guidance
Reduce mixing when iterates oscillate. Increase integration points for BCS convergence tests. Increase the boson cutoff until Bose–Hubbard values stop changing.
Newton and Broyden methods are sensitive to starting values. Continuation usually provides better guesses near phase boundaries.
Physical scope
Mean-field theory neglects many fluctuations and correlations. The Hubbard option is an atomic homogeneous closure. The Bose option is a finite single-site Gutzwiller calculation.
Controls marked “documented” are retained for project planning but are not separate numerical kernels in this portable file.
Glossary
- Order parameter
- A quantity distinguishing phases, such as magnetization or a superconducting gap.
- Residual
- The difference between the calculated mean field and the current mean field.
- Mixing
- Damping that combines old and newly calculated values.
- Continuation
- Using a nearby solved point as the next initial state.
- Metastability
- A locally stable solution that is not necessarily the global free-energy minimum.
- Spectral radius
- The largest Jacobian eigenvalue magnitude. Values below one support local fixed-point stability.
- Hessian
- The matrix of second free-energy derivatives. Positive eigenvalues suggest a local minimum.