Edwin E. Quashie edited Each_simulation_of_the_ion__.tex  almost 8 years ago

Commit id: 5d63aed127ac81d8ad07d30bd890440214d49dd2

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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}.   The Kohn-Sham (KS) 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}.  Periodic boundary conditions along with Ewald summation~\cite{Amisaki_2000,Roy_2007} are used throughout this study.