[Pw_forum] GIPAW, write tensor field, xsf

Davide Ceresoli ceresoli at MIT.EDU
Thu Nov 19 21:59:30 CET 2009


Goranka Bilalbegovic wrote:
> 
> Hello,
> 
> I have tested two systems: my example of a cluster and the GIPAW CH4 
> molecule example.
> 
> The error is:
> ---
> ERROR: while executing exec
> .../bin/gengeom 0 1 11 1 1 1 1
> XC_gengeom.1684
> /home/.../xcrys_tmp/xc_1684/FigFillcurr.xsf_UP_X.xsf.raw
The problem could be that xcrysden cannot handle such an
amount of "atoms". In fact, on my machine, gengeom crashed
with a "segmentation violation" error.


Davide




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