[DFTB-Plus-User] LUMO

[张超]

Dear all,
There is HOMO of a water molecule (wavefunction square and real part of the wavefunction) in the first steps with Waveplot (Figure 3 and 4).

I do not know how to plot the LUMO of a water molecule (wavefunction square and real part of the wavefunction)?

Any comment or suggestion is appreciated.
Regards

Chao


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