[Wien] core dumped

[Peter Blaha]

> For "TiC," w2web issued an error message saying "Segmentation fault (core
> dumped)" when running "initialize cal." at "x kgen" step. However, the
> execution for "run SCF" went through and I can see the final 3D surface plot
> as shown in the manual. The reason why the execution went through is
> probably picking up the sample input decks.

I assume that compilation of kgen did NOT give any error messages ?
Try it again!

It could be, that some "limits" are too small.

Try    limit     in a csh. Most of those limits should be   "unlimited".

Eventually you could look into the source code of kgen and grep for
"PARAMETER". Set the large values somewhat smaller. They are needed that
large only for very large k-meshes.



                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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