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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