qc2-teaching

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Various suggestions

1

Thanks for the nice tutorial. Here are some suggestions. If you agree with them I could create a pull request. "Directly after the gfortran command, you find the input file...

Beliavsky

Should we adjust the licensing of this course to use a permissive OSS license like MIT or BSD-3C? The current combination of CC-BY-SA for the course material and the separate...

awvwgk

DLPNO-CCSD(T) for basis set convergence

1

It would be nice to include DLPNO-CCSD(T) for the basis set convergence task as DLPNO methods become more and more relevant and feasible. Maybe we could pick a converged reference...

haneug

One should Include a task showing the effect of the self-interaction error in DFT calculations. I would suggest adding a GGA to the SN2 reaction and letting the students discuss...

haneug