List of Examples

Interfacing with External Programs

• DFTB+

Critical Points

• Locating critical points of densities given on grids

Integration of Atomic Properties

• Integration of atomic properties with grids

• Delocalization indices in solids

NCI Plots

• Making NCI Plots in molecules, surfaces, and solids

STM Plots

• Making STM plots with Quantum ESPRESSO

Calculation of Molecular Properties

• Calculations using molecular structures and wavefunctions

Structural Tools

• Compare molecular and crystal structures

Development Notes

• Critic2 development notes and test files