[Octopus-users] Does the "cg poisson solver" work?
Nam A. Nguyen
n.nguyen at usherbrooke.ca
Thu Dec 23 17:46:25 WET 2004
Try to play with the convergence criteria (MaximumIter,
ConvAbsDens.....) to see if it works
>Does anybody know if the "cg" method of the PoissonSolver work in any
>situation? The eigenvalues start to look crazy at the second scf step
>already. I tried a simple example as below, and it still does not work. Is
>there any parameter that I should pay attention to in order to use this
I think you mixed up "cg" for solving the Possion equation with "cg" for
solving the eigenvalue equation here. By the way does PoissonSolver = 5
>verbose = 30
>DebugLevel = 15
>SystemName = "3D"
>CalculationMode = gs_start
>Units = "eVA"
> "Na" | 0 | 0 | 0 | no
>BoxShape = minimum
>Radius = 4.6
>Spacing = 0.3
>PoissonSolver = 5
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