[Octopus-users] Does the "cg poisson solver" work?

[Nam A. Nguyen]

Hi,

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
>method?
>
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 
exist ?

Good luck
Nam

>
>verbose = 30
>DebugLevel = 15
>SystemName = "3D"
>CalculationMode = gs_start
>Units = "eVA"
>
>%Species
>  "Na"|23.0|11|"tm2"|0|0
>%
>
>%Coordinates
> "Na"  | 0 | 0 | 0 | no
>%
>
>BoxShape = minimum
>Radius  = 4.6
>Spacing = 0.3
>
>PoissonSolver = 5
>
>
>Thanks,
>
>Na Sai
>
>  
>