Tutorials¶

The following tutorials demonstrate how to utilize core features of WEST.

Intro tutorials:

Intro Tutorial 1: Getting Started with Full-Frequency GW Calculations
Intro Tutorial 2: Analyzing the Frequency Dependency in GW Calculations
Intro Tutorial 3: Parallelization
Intro Tutorial 4: Plotting Density of States and Local Density of States
Intro Tutorial 5: Quantum Defect Embedding Theory (QDET) Calculations
Intro Tutorial 6: Identification of Localized States
Intro Tutorial 7: Computing Absorption Spectra by Solving the Bethe-Salpeter Equation (BSE) Using Density Matrix Perturbation Theory (DMPT)
Intro Tutorial 8: Using the Finite-Field (FF) Approach to Perform GW and BSE Calculations
Intro Tutorial 9: GW Calculations with Hybrid Functionals
Intro Tutorial 10: Computing Excitation Energies Using Time-Dependent Density Functional Theory (TDDFT)
Intro Tutorial 11: Computing Absorption Spectra Using Time-Dependent Density Functional Theory (TDDFT)
Intro Tutorial 12: Excited State Geometry Optimization Using Time-Dependent Density Functional Theory (TDDFT)
Intro Tutorial 13: Computing Excitation Energies by Solving the Bethe-Salpeter Equation (BSE) Using Density Matrix Perturbation Theory (DMPT)

Advanced tutorials:

The following tutorials were used in MICCoM Workshop & Hands-on Tutorials 2022:

The following tutorials were used in MICCoM Computational School 2017: