first sent away beta version

[lectures/latex.git] / posic / thesis / basics.tex

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@@ -19,8 +19,7 @@ The method used to investigate migration pathways to identify the prevalent diff
 \section{Molecular dynamics simulations}
 \label{section:md}
 
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 \begin{quotation}
 \dq We may regard the present state of the universe as the effect of the past and the cause of the future. An intellect which at any given moment knew all of the forces that animate nature and the mutual positions of the beings that compose it, if this intellect were vast enough to submit the data to analysis, could condense into a single formula the movement of the greatest bodies of the universe and that of the lightest atom; for such an intellect nothing could be uncertain and the future just like the past would be present before its eyes.\dq{}
@@ -672,7 +671,5 @@ Structures of maximum configurational energy do not necessarily constitute saddl
 Whether a saddle point configuration and, thus, the minimum energy path is obtained by the CRT method, needs to be verified by caculating the respective vibrational modes.
 Modifications used to add the CRT feature to the VASP code and a short instruction on how to use it can be found in appendix \ref{app:patch_vasp}.
 
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