Category:GW: Difference between revisions

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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.
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 following page: {{TAG|GW calculations}}.
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.


== How to ==
== How to ==
*Practical guide to GW: {{TAG|Practical guide to GW calculations}}.
*{{TAG|Practical guide to GW calculations}}.
*Low scaling algorithms for GW: [[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}}.
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[[Category:VASP|GW]][[Category:Many-Body Perturbation Theory|Many-Body Perturbation Theory]]
[[Category:VASP|GW]][[Category:Many-body perturbation theory]]

Latest revision as of 10:31, 19 July 2022

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