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Alfredo A. Correa edited Each_simulation_of_the_ion__.tex
over 7 years ago
Commit id: 88f309e4d4267de65806ebe9ab07d478cfd0d841
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Each simulation of the ion-solid collision consists of a well-defined trajectory of the projectile in the FCC metallic bulk sample with experimental density.
The calculations were done using the code \textsc{Qbox} \cite{Gygi_2008} with time-dependent modifications
\cite{Schleife_2012}. \cite{Schleife_2012}\cite{Draeger_2016}.
The KS orbitals are expanded in a supercell plane-wave basis.
The advantages of using the plane-wave approach is that it systematically deals with basis-size effects, which was a drawback for earlier approaches \cite{Pruneda_2007, Correa_2012}.