Category:GW: Difference between revisions

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

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 39 pages are in this category, out of 39 total.

A

ALGO

C

CSHIFT

E

G

GW and dielectric matrix

I

IALL IN ONE

L

M

MAXMEM

N

O

P

Practical guide to GW calculations

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SCISSOR

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-All tags and articles that deal with GW calculations are members of this category.
+== 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.
-== Theoretical Background ==
+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 ==
+*{{TAG|Practical guide to GW calculations}}.
-A comprehensive documentation on GW calculations is given in {{TAG|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}}.
 ----
-[[The_VASP_Manual|Contents]]
-[[Category:VASP|GW]][[Category:Many-Body Perturbation Theory|Many-Body Perturbation Theory]]
+[[Category:VASP|GW]][[Category:Many-body perturbation theory]]