plotting the charge density difference from cube file
Xun Wang
wangxu... at gmail.com
Fri Mar 13 00:07:28 UTC 2015
Thanks! I was trying to use the option -1d_profile, after I got the density
difference file He-delta.cube, however the following error occurs and I
have no idea how to solve this. It seems an error of reading the data file.
I could not locate the error. Could you help me with this! Thanks!
$* cubecruncher.x -i He-delta.cube -o out.cube -1d_profile z *
Reading from cube He-delta.cube
Writing to cube out.cube
forrtl: severe (59): list-directed I/O syntax error, unit -5, file Internal
List-Directed Read
Image PC Routine Line Source
cubecruncher.x 000000000044A2A7 Unknown Unknown Unknown
cubecruncher.x 000000000046148F Unknown Unknown Unknown
cubecruncher.x 000000000045FF1E Unknown Unknown Unknown
cubecruncher.x 000000000041DDF7 Unknown Unknown Unknown
cubecruncher.x 00000000004147C3 Unknown Unknown Unknown
cubecruncher.x 000000000040DF1E Unknown Unknown Unknown
libc.so.6 00007F71CE535D5D Unknown Unknown Unknown
cubecruncher.x 000000000040DE29 Unknown Unknown Unknown
Thanks!!
On Thursday, March 12, 2015 at 3:38:43 AM UTC-4, Samuel Andermatt wrote:
>
> Once you have the density difference in a separate cubefile you can also
> use the cubecruncher with -1d_profile.
>
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