Category:GW: Difference between revisions
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== Theory == | |||
---- | The GW approximation goes hand in hand with the RPA, since the very same diagrammatic contributions are taken into account in the screened Coulomb interaction of a system often denoted as W. However, in contrast to the RPA/ACFDT, the GW method provides access to the spectral properties of the system by means of determining the energies of the quasi-particles of a system using a screened exchange-like contribution to the self-energy. The GW approximation is currently one of the most accurate many-body methods to calculate band-gaps. | ||
[[Category:VASP|GW]] | More information about the GW method can be found on the following page: {{TAG|GW approximation of Hedin's equations}} | ||
== Practical guides == | |||
While more recent versions of VASP (6.0 and newer) support GW calculations in one go, | |||
older versions require two steps. First, a groundstate DFT calculation is performed, followed by the actual GW step. | |||
More detailed guides for the GW method are bound below. | |||
== Additional resources == | |||
=== Lectures === | |||
*Lecture on {{Video|gw:merzuk:2023|GW approximation}}. | |||
*Lecture on the {{Video|optical:merzuk:2025|optical bandgap, including in GW}}. | |||
=== Tutorials === | |||
*Tutorial for {{Tutorial|gw|GW calculations}}. | |||
=== How to === | |||
*{{TAG|Practical guide to GW calculations}}. | |||
*[[Practical guide to GW calculations#LowGW|Practical guide to GW calculations for large systems]]. | |||
*Using the GW routines for the determination of frequency-dependent dielectric matrix: {{TAG|GW and dielectric matrix}}. | |||
[[Category:VASP|GW]][[Category:Many-body perturbation theory]] | |||
Latest revision as of 14:06, 24 March 2026
Theory
The GW approximation goes hand in hand with the RPA, since the very same diagrammatic contributions are taken into account in the screened Coulomb interaction of a system often denoted as W. However, in contrast to the RPA/ACFDT, the GW method provides access to the spectral properties of the system by means of determining the energies of the quasi-particles of a system using a screened exchange-like contribution to the self-energy. The GW approximation is currently one of the most accurate many-body methods to calculate band-gaps.
More information about the GW method can be found on the following page: GW approximation of Hedin's equations
Practical guides
While more recent versions of VASP (6.0 and newer) support GW calculations in one go, older versions require two steps. First, a groundstate DFT calculation is performed, followed by the actual GW step.
More detailed guides for the GW method are bound below.
Additional resources
Lectures
- Lecture on GW approximation.
- Lecture on the optical bandgap, including in GW.
Tutorials
- Tutorial for GW calculations.
How to
- Practical guide to GW calculations.
- Practical guide to GW calculations for large systems.
- Using the GW routines for the determination of frequency-dependent dielectric matrix: GW and dielectric matrix.
Pages in category "GW"
The following 43 pages are in this category, out of 43 total.