plotting the charge density difference from cube file
Xun Wang
wangxu... at gmail.com
Mon Mar 9 19:07:52 UTC 2015
Hello,
I am a new user to cp2k and I would like to know how I can plot the atomic
density difference from the cube file.
In my calculation of He dimer, I added the following lines to my input file
to get the cube file.
&E_DENSITY_CUBE
FILENAME ./rut_density
&END E_DENSITY_CUBE
I would like to get a plot as figure 2 in the following
literature: http://scitation.aip.org/content/aip/journal/jcp/117/24/10.1063/1.1522715
I appreciate your help me with this!
Xun
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