changed colors in 110 mig (vasp)

diff --git a/posic/thesis/defects.tex b/posic/thesis/defects.tex
index d98c843..a653c44 100644 (file)
--- a/posic/thesis/defects.tex
+++ b/posic/thesis/defects.tex
@@ -473,7 +473,7 @@ This is supported by the charge density isosurface and the Kohn-Sham levels in f
 The blue torus, reinforcing the assumption of the p orbital, illustrates the resulting spin up electron density.
 In addition, the energy level diagram shows a net amount of two spin up electrons.
 
 The blue torus, reinforcing the assumption of the p orbital, illustrates the resulting spin up electron density.
 In addition, the energy level diagram shows a net amount of two spin up electrons.
 

-\section[Migration of the carbon \hkl<1 0 0> interstitial]{Migration of the carbon \boldmath\hkl<1 0 0> interstitial}
+\section{Migration of the carbon interstitials}

 \label{subsection:100mig}
 
 In the following the problem of interstitial carbon migration in silicon is considered.
 \label{subsection:100mig}
 
 In the following the problem of interstitial carbon migration in silicon is considered.


@@ -676,7 +676,7 @@ In addition the bond-ceneterd configuration, for which spin polarized calculatio
 %\includegraphics[width=2.2cm]{vasp_mig/0-10_b.eps}
 %\end{picture}
 \end{center}
 %\includegraphics[width=2.2cm]{vasp_mig/0-10_b.eps}
 %\end{picture}
 \end{center}

-\caption{Migration barriers of the \hkl<1 1 0> dumbbell to bond-centered (red), \hkl<0 0 -1> (green) and \hkl<0 -1 0> (in place, blue) C-Si dumbbell transition.}
+\caption{Migration barriers of the \hkl<1 1 0> dumbbell to bond-centered (blue), \hkl<0 0 -1> (green) and \hkl<0 -1 0> (in place, red) C-Si dumbbell transition.}

 \label{fig:defects:110_mig_vasp}
 \end{figure}
 Further migration pathways in particular those occupying other defect configurations than the \hkl<1 0 0>-type either as a transition state or a final or starting configuration are totally conceivable.
 \label{fig:defects:110_mig_vasp}
 \end{figure}
 Further migration pathways in particular those occupying other defect configurations than the \hkl<1 0 0>-type either as a transition state or a final or starting configuration are totally conceivable.


@@ -715,6 +715,7 @@ In any case the barrier obtained is slightly higher, which means that it does no
 The method in which the constraints are only applied to the diffusing C atom and two Si atoms, ... {\color{red}in progress} ...
 
 \subsection{Migration barriers obtained by classical potential calculations}
 The method in which the constraints are only applied to the diffusing C atom and two Si atoms, ... {\color{red}in progress} ...
 
 \subsection{Migration barriers obtained by classical potential calculations}

+\label{subsection:defects:mig_classical}

 
 The same method for obtaining migration barriers and the same suggested pathways are applied to calculations employing the classical Erhard/Albe potential.
 Since the evaluation of the classical potential and force is less computationally intensive higher amounts of steps can be used.
 
 The same method for obtaining migration barriers and the same suggested pathways are applied to calculations employing the classical Erhard/Albe potential.
 Since the evaluation of the classical potential and force is less computationally intensive higher amounts of steps can be used.