[DFTB-Plus-User] wavefunction parameters

gonzalo diaz miron gonzalodm20 at gmail.com
Tue Dec 13 10:34:21 CET 2022


Hello dftb+ comunity:

I would like to plot the molecular orbitals for my system, I was taking a
look at how to do that and I found that I have to use the same parameters
for the wavefunction that those in SK files. But I couldn't find the wf
parameters for ob2, is not in the repository (
https://dftb.org/parameters/download/ob2/ob2-1-1)

Do you know how I can generate this or where can I download?.

Thanks a lot for your help in advance!.
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