<p>I have not run spaghetti at these sizes, but have done many other larger calculations so this is not a lapw1 bug.</p>
<div class="gmail_quote">On Oct 5, 2011 7:45 PM, "Parker, David S." <<a href="mailto:parkerds@ornl.gov">parkerds@ornl.gov</a>> wrote:<br type="attribution">> Dear WIEN2K users:<br>> <br>> Has anyone else experienced an apparent bug in WIEN (I am using WIEN_2010), which seems to occur<br>
> only for fairly large unit cells (nelectron > ~ 400), where eigenvalues are not properly sorted in spaghetti and <br>> other programs - this leads to bands that are terribly jagged rather than smooth? Similar problems show up in the <br>
> 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<br>> <br>> <br>> _______________________________________________<br>
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