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GW correction on an arbitrary point of the Brillouin zone with Yambo


GW correction on an arbitrary point of the Brillouin zone with Yambo

Here I show how to calculate GW correction for a generic k-point not included in the original grid used to perform a GW calculations using Yambo 4.2. This method allows to obtain the GW correction without the need of recalculate the full dielectric constant used in the initial calculation. As example I will take 2-dimensional… Read More

Speed up dielectric constant calculations using the double-grid method with Yambo


Speed up dielectric constant calculations using the double-grid method with Yambo

Convergence of dielectric constant with respect the number of k-points can be very slow in many systems. For this reason in Yambo it is implemented a double-grid technique that speeds up convergence versus k-points with a computational cost comparable to the standard calculations. The method is described in the paper: Speeding up the solution of… Read More

Exciton interference in hexagonal boron nitride


Exciton interference in hexagonal boron nitride

Our new paper on exciton interference in hexagonal boron nitride is online. In this paper we show  that the excitonic peak  at finite momentum is formed by the superposition of two groups of transitions that we call KM and MK′ from the k-points involved in the transitions. These two groups contribute to the peak intensity… Read More