[Wien] Seg Fault during Bandstructure Calculation

[Peter Blaha]

Have you ever successfully run spaghetti on a different case ?

Did you insert EF into case.insp (instead of the ****) ?

Hard to guess something specific.


Am 26.04.2012 17:04, schrieb Aaron Sutton:
> Hi,
> Posted about this a few days ago but got no response. I'm having an
> issue running spaghetti. When executing x spaghetti from w2web, I
> immediately receive the following:
>
> Commandline: x spaghetti
> Program input is: ""
>
> Segmentation fault
> 0.072u 0.035s 0:00.43 23.2%	0+0k 0+4io 84pf+0w
> error: command   /Applications/WIEN2K/spaghetti spaghetti.def   failed
>
> No errors are given when running lawp1 -band from w2web or the command
> line. The k-mesh was created using XCrysDen. Any input into this issue
> would be greatly appreciated as I've made no progress on it in days.
>
> Thanks.
> ----------------------------------------------------------------------------
> Aaron Sutton
> Ph.D. Candidate | University of Toronto
> Office: McLennan MP090 | Phone: +1 416 946 3639
> Email: asutton at physics.utoronto.ca
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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