[CP2K-user] calculating electrostatic potential along z axis
Fabian Ducry
fabia... at gmail.com
Mon Apr 27 06:08:42 UTC 2020
Dear Elham,
You can use the cubecruncher utility that comes with cp2k:
https://www.cp2k.org/tools:cubecruncher
To extract a 1D profile along the z-axis you do: cubecruncher.x -i
cubefile.cube -o /dev/null -1d_profile 3 1
Best,
Fabian
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