[Octopus-devel] [Octopus-notify] svn commit: r6245 - in trunk/src: system by xavier

[Miguel Marques]

  Hi Xavier,

  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?

  cheers,
  Miguel

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
> 
> Modified:
>    trunk/src/grid/grid.F90
>    trunk/src/grid/mesh.F90
>    trunk/src/system/v_ks.F90
> 
> Log:
> * 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.
> 
> 
> _______________________________________________
> Octopus-notify mailing list
> Octopus-notify at tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-notify
>