[CP2K-user] How get squared MO-cubes?

Lucas Lodeiro eluni... at gmail.com
Wed Oct 14 19:31:34 UTC 2020


Hi all,

I compile cubecruncher, but I cannot find the way to get the density
probability of MO-cube... cubecrunches enables to subtract or multiply by a
given factor the different cubes... but not multiply a cube by itself.
I need to obtain MO-density profiles, but only I can get is the
MO-amplitude probability profile.
There is a simple way to obtain this?

Regards
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