[CP2K-user] Problems generating Molecular Orbitals of Water

[ban...@gmail.com]

Dear CP2K community,

I am trying to print the molecular orbitals of a single water molecule. 
However, they are not printed. Could somebody help me to solve this?

These are the lines I am using to generate the molecular orbitals:

      &MO_CUBES MEDIUM
        &EACH
          GEO_OPT 1
        &END EACH
        ADD_LAST SYMBOLIC
        NHOMO 5
        NLUMO 5
      &END MO_CUBES

I am also sending in attachment the input that I am using.

Sincerely yours,

Lucas Bandeira
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