[xcrysden] Error when rendering the fermi surface

Gavin Abo gsabo at crimson.ua.edu
Wed Sep 16 06:10:40 CEST 2015


Have you tried to combine all of the case.output1_* files together with 
the cat command [1,2]?

[1] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg02049.html
[2] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg02057.html

On 9/15/2015 9:43 PM, lung Fermin wrote:
> Dear developers and users,
>
> I want to plot the 3D fermi surface using Xcrysden after the 
> calculation in wien2k with mpi parallelization. The following error 
> occurs:
> /"ERROR: while executing //exec //~/XCrySDen/bin/wn_readbakgen 
> bakgen.def"/
> in more info it says/"child killed. Segmentation violation"/
> From the mailing list, I learnt that Xcrysden only recognizes the 
> /case.output1/ file. So I tried renaming the case.output1_1 file from 
> mpi outputs but the error persists.
> How shall I overcome this problem?
> Thanks,
> Fermin
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