000_GUIDE

Basis_Optimization: More advanced look at the different handles for tuning of basis sets.
BasisSetsMolecules: Simple concepts about basis sets (molecules).
BasisSetsCrystals:  Checks of the dependence of the properties of crystalline Fe on the basis set.
Basic_Examples:     An overview of basic concepts.
Pseudos:            Pseudopotential generation and testing.
GridConvergence:    Exercises related to the real-space grid, including the eggbox effect.
ElectronicStructure:Basic concepts of band-structure and density-of-states generation and plotting.
Functionals:        Exploration of different functionals for Fe.
Order-N:            Key concepts of the O(N) solver.
GeometryOptimization: Relaxation of atomic coordinates (and optionally lattice vectors)
MolecularDynamics:  Basic exercises: verlet, nose, parrinello-rahman, quenching for optimization.
Phonons:            Use of the "Vibra" package, for a molecule and a crystal.
OpticalProperties:  Use of electronic-structure information to compute optical properties.
Polarization:       Berry-phase approach to compute electric polarization changes in insulators.
Scripting:          Some very simple scripting examples.