Jacobi preconditioner does not converge with mixed widths
The conjugate gradient algorithm with Jacobi preconditioner does not converge if different Gaussian widths are set for the electrodes. Steps to reproduce:
- Set
electrode_charges cg
andpreconditioner jacobi
- Use different values for the Gaussian charge width of electrodes
Result: conjugate gradient does not converge.
Here are example inputs adapted from the "thomas-fermi-gold-capacitor" example.
I get the following error message:
|cg| number of iterations: 101
|cg| Residual norm: 5.13851E-10
|cg| Residual target: 5.69210E-11
MW_STDERR = 0 10
[error]...CG failed to converge
subroutine: solve
file: cg.f90
Edited by Ludwig Ahrens