[Wien] Eigenvalue mix-up - large unit cells

[Laurence Marks]

I have not run spaghetti at these sizes, but have done many other larger
calculations so this is not a lapw1 bug.
On Oct 5, 2011 7:45 PM, "Parker, David S." <parkerds at ornl.gov> wrote:
> Dear WIEN2K users:
>
> Has anyone else experienced an apparent bug in WIEN (I am using
WIEN_2010), which seems to occur
> only for fairly large unit cells (nelectron > ~ 400), where eigenvalues
are not properly sorted in spaghetti and
> other programs - this leads to bands that are terribly jagged rather than
smooth? Similar problems show up in the
> case.energy_1, energy_2,( when these files are gathered together) when
lapw1 is run in parallel, so this appears to be an lapw1 bug rather than
spaghetti. Thanks in advance - David Parker
>
>
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