Difference between revisions of "Accelerating GW in 2D systems"
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The method makes use of a truncated Coulomb potential in a slab geometry: | The method makes use of a truncated Coulomb potential in a slab geometry: | ||
<math>\ | |||
<math>V_g(q)=\frac{4\pi}{\vert q+G \vert^2} | |||
</math> | |||
== Links == | == Links == | ||
* [[Tutorials|Back to tutorials menu]] | * [[Tutorials|Back to tutorials menu]] | ||
[[Category:Modules]] | [[Category:Modules]] | ||
Revision as of 14:02, 31 May 2022
Since Yambo v5.1 it is possible to use an algorithm able to accelerate convergences of GW calculations in two-dimensional systems with respect to the k point sampling.
The method is explained in the paper:
Efficient GW calculations in two-dimensional materials through a stochastic integration of the screened potential
A. Guandalini, P. D'Amico, A. Ferretti and D. Varsano
available at the link: https://arxiv.org/abs/2205.11946
The method makes use of a truncated Coulomb potential in a slab geometry:
[math]\displaystyle{ V_g(q)=\frac{4\pi}{\vert q+G \vert^2} }[/math]