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Author Topic: Convergence Problem  (Read 21737 times)

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Offline Anders Blom

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Re: Convergence Problem
« Reply #15 on: May 3, 2012, 08:42 »
We have discovered a possible bug in the Neumann conditions. I suggest you use multigrid, but periodic boundary conditions in all directions. This will work fine since you have a double-gate.
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Offline Anders Blom

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Re: Convergence Problem
« Reply #16 on: May 3, 2012, 09:22 »
Oh, you have a single gate only. In that case, try to remove the gate from the absolute edge (this seems to trigger the bug); place it 0.1 Å or something inside the cell (as you had originally, in fact..., but a bit wider than before).
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