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where the external potential is $V_\text{ext}[\{\mathbf{R}_J(t)\}_J](\mathbf{r}, t)$ due to ionic core potential (with ions at positions $\mathbf R_J(t)$), $V_\text{H}[n](\mathbf{r}, t)$ is the Hartree potential comprising the classical electrostatic interactions between electrons and $V_\text{XC}[n](\mathbf{r}, t)$ denotes the exchange-correlation (XC) potential.   The spatial and time coordinates are represented by $\mathbf{r}$ and $t$ respectively.   At time $t$ the instantaneous density is given by the sum of individual electron probabilities $n(\mathbf{r}, t) = \sum_i |\psi_i(\mathbf{r}, t)|^2$.  The XC potential used in this study is due to Perdew-Burke-Ernzerhof (PBE) ~\cite{Perdew_1992,Perdew_1996}, using a and we used  norm-conserving Troullier-Martins pseudopotential, pseudopotential to represent $V_\text{ext}$$,  with $17$ explicit electrons per $\mathrm{Cu}$ atom (not necessarily all 17 electrons participate in the process as we will discuss later).