[Octopus-devel] [Octopus-notify] svn commit: r6245 - in trunk/src: system by xavier
Miguel.Marques at tddft.org
Sat Dec 19 08:04:42 WET 2009
These are wonderful news. Would you be able to run some benchmarks to
see how much it helps in the convergence and the egg-box effect?
octopus-notify at tddft.org wrote:
> Author: xavier
> Date: Fri Dec 18 23:15:38 2009
> New Revision: 6245
> Changeset: http://www.tddft.org/trac/octopus/changeset/6245
> * When using the fine mesh, the vxc potential must be initialized to
> zero. With this fix the fine mesh appears to be working for ground
> state calculations. (But probably many parts of the code will not work
> with it).
> * Improved the output for the fine mesh.
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