GitHub - compchem-cybertraining/Tutorials_DFTB_plus: Tutorials with density functional tight-binding (DFTB+) package

Start by doing TDDFTB+ SP calculation in the 1_tddftb+ folder
Do the excitation analysis in 2_excitation_analysis folder
Compute MD trajectory with 4_md
Then 3_nacs
(Optionally), you can do the excitation_analysis again, using the TDDFT+ calculations for a number of steps from step2. For installation of an ARPACK-enabled version of DFTB+ that can perform TDDFT+ calculations see this link.

legacy is the old set of tutorials by Brendan Smith. Some of the current ones are based on those legacy examples

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Name		Name	Last commit message	Last commit date
Latest commit History 23 Commits
1_tddftb+		1_tddftb+
2_excitation_analysis		2_excitation_analysis
3_nacs		3_nacs
4_md		4_md
legacy		legacy
INSTALLATION.md		INSTALLATION.md
README.md		README.md