[Octopus-users] Does the "cg poisson solver" work?
nsai at physics.ucsd.edu
Wed Dec 22 20:27:45 WET 2004
Sorry to send this again, but my first message was incomplete due to a
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
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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