Category:GW: Difference between revisions
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*[[Practical guide to GW calculations#LowGW|Practical guide to GW calculations for large systems]]. | *[[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}}. | *Using the GW routines for the determination of frequency-dependent dielectric matrix: {{TAG|GW and dielectric matrix}}. | ||
== Tutorials == | |||
*Tutorial for [https://vasp.at/tutorials/latest/gw/ GW calculations]. | |||
*Lecture on [https://youtu.be/zGPqDxsD80o GW]. | |||
*Lecture on the [https://youtu.be/6F_WNIh6V7I optical bandgap, including in GW]. | |||
[[Category:VASP|GW]][[Category:Many-body perturbation theory]] | [[Category:VASP|GW]][[Category:Many-body perturbation theory]] | ||
Latest revision as of 10:33, 22 September 2025
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.
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.
Tutorials
- Tutorial for GW calculations.
- Lecture on GW.
- Lecture on the optical bandgap, including in GW.
Pages in category "GW"
The following 38 pages are in this category, out of 38 total.