[xcrysden] Error in plotting 3D scalar field, maybe a bug

Yunpeng Wang yunpengwang85 at gmail.com
Tue May 4 11:44:40 CEST 2010


Hello all,

I want to plot a 3D scalar field by XCrySDen. If the number of data-points
is small (<10), I succeed to plot the scalar field and plot the isovalued
surfaces. However, if I use larger (>10) value of number of data-points, the
program will crash and gives error message like "child killed: segmentation
violation".

My xcrysden version is 1.5.21.
The following is my .xsf file, in which there is only one DATAGRID_3D
section:

--------------------------------------------------------
BEGIN_BLOCK_DATAGRID_3D
whatever
    BEGIN_DATAGRID_3D_this_is_it
    10 10 10
    -3 -3 -3
    6 0 0
    0 6 0
    0 0 6
...(totally 1000 numbers)
END_DATAGRID_3D
END_BLOCK_DATAGRID_3D
-----------------------------------------------------------

Thanks very much!

-- 
Yunpeng Wang
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