reply on merged manuscript

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+Re: BC11912
+    Combined ab initio and classical potential simulation study
+    on the silicon carbide precipitation in silicon
+    by F. Zirkelbach, B. Stritzker, K. Nordlund, et al.
+
+
+Dear Dr. Dahal,
+
+once again, thank you for the feedback to our submission.
+
+> The above manuscript has been reviewed by our referee. While we
+> cannot make a definite commitment, we will probably accept your
+> paper for publication, provided you make changes that we judge to be
+> in accordance with the appended comments (or other satisfactory
+> responses are given).
+
+Please find below the summary of changes and hopefully convincing
+responses to the recommendations of the referee.
+
+-- Response to recommendations --
+
+> The figures showing structures (2, 11, 14) would be improved by
+> showing the bonds ? perhaps undistorted bonds in one color and those
+> highly distorted by the defect in another.
+
+We changed figures 2 and 14 to show all bonds in blue color while
+bonds of the defect atoms or atoms of interest are displayed in red
+color. We are thankful to the referee since the quality of the images
+showing these structures, thereby, has been improved, indeed. In
+figure 11, all bonds are actually already displayed.
+
+-> Change 1 and 2
+
+> My main feeling is that it is too long, and the sections
+> particularle of the different configurations (Section IV, A-D and
+> some of the discussions in section VI) include far more details than
+> the reader will be interested in. If the authors would prune out
+> some of the details and make the discussions more succinct, though,
+> it would be vastly improved.
+
+With further omitting content of the manuscript - originally intended to
+be presented in two separated publications - we feel that
+scientifically significant results would remain unpublished. Although
+we would prefere a publication as in our last submission, we revised
+the addressed parts of the manuscript and omitted several sentences
+and one figure as detailed below.
+
+-> Change 3 and 4
+
+We hope to enable a publication in the Physical Review B by these
+changes.
+
+Sincerely,
+
+Frank Zirkelbach
+
+-- Summary of changes --
+
+- = removed
++ = added
+
+Change 1 - Additional bonds in Fig. 2
+
+-\includegraphics[width=\columnwidth]{si110.eps}
++\includegraphics[width=\columnwidth]{si110_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{sihex.eps}
++\includegraphics[width=\columnwidth]{sihex_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{sitet.eps}
++\includegraphics[width=\columnwidth]{sitet_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{si100.eps}
++\includegraphics[width=\columnwidth]{si100_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{csub.eps}
++\includegraphics[width=\columnwidth]{csub_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{c100.eps}
++\includegraphics[width=\columnwidth]{c100_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{c110.eps}
++\includegraphics[width=\columnwidth]{c110_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{cbc.eps}
++\includegraphics[width=\columnwidth]{cbc_bonds.eps}
+
+-\caption{Configurations of Si and C point defects in Si. Si and C
+ atoms are illustrated by yellow and gray spheres respectively. Bonds
+ are drawn whenever considered appropriate to ease identifying defect
+ structures for the reader. Dumbbell configurations are abbreviated by
+ DB.}
++\caption{Configurations of Si and C point defects in Si. Si and C
+ atoms are illustrated by yellow and gray spheres respectively. Bonds
+ of the defect atoms are drawn in red color. Dumbbell configurations
+ are abbreviated by DB.}
+
+Change 2 - Additional bonds + colored bonds in Fig. 14
+
+-\includegraphics[width=\columnwidth]{md01.eps}
++\includegraphics[width=\columnwidth]{md01_bonds.eps}
+
+-\includegraphics[width=\columnwidth]{md02.eps}\\
++\includegraphics[width=\columnwidth]{md02_bonds.eps}\\
+
+-\caption{Atomic configurations of an {\em ab initio} molecular
+ dynamics run at \unit[900]{$^{\circ}$C} starting from a configuration
+ of C$_{\text{s}}$ located next to a Si$_{\text{i}}$ \hkl[1 1 0] DB
+ (atoms 1 and 2). Equal atoms are marked by equal numbers. Bonds are
+ drawn for substantial atoms only.}
++\caption{Atomic configurations of an {\em ab initio} molecular
+ dynamics run at \unit[900]{$^{\circ}$C} starting from a configuration
+ of C$_{\text{s}}$ located next to a Si$_{\text{i}}$ \hkl[1 1 0] DB
+ (atoms 1 and 2). Equal atoms are marked by equal numbers.}
+
+Change 3 - Omitted text
+
++\prune{
+ C$_{\text{i}}$ pairs of the \hkl<1 0 0> type have been investigated
+ in the first part.
++}
+
++\prune{
+ In the last subsection configurations of a C$_{\text{i}}$ DB with
+ C$_{\text{s}}$ occupying a vacant site have been investigated.
+ Additionally, configurations might arise in IBS, in which the
+ impinging C atom creates a vacant site near a C$_{\text{i}}$ DB, but
+ does not occupy it.
+-Resulting binding energies of a C$_{\text{i}}$ DB and a nearby
+ vacancy are listed in the second row of Table~\ref{table:dc_c-sv}.
++Resulting} Binding energies of a C$_{\text{i}}$ DB and a nearby
+ vacancy are listed in the second row of Table~\ref{table:dc_c-sv}.
+
++\prune{
+ There are good reasons for the existence of regions exhibiting such
+ configurations with regard to the IBS process.
+ Highly energetic C atoms are able to kick out a Si atom from its
+ lattice site, resulting in a Si self-interstitial accompanied by a
+ vacant site, which might get occupied by another C atom that lost
+ almost all of its kinetic energy.
+ Provided that the first C atom, which created the V and
+ Si$_{\text{i}}$ pair has enough kinetic energy to escape the affected
+ region, the C$_{\text{s}}$-Si$_{\text{i}}$ pair can be described as a
+ separated defect complex.
++}
+
++\prune{
+ Simulations are restricted to classical potential simulations using
+ the procedure introduced in section \ref{meth}.
++}
+
+Change 3 - Omitted figure and respective text
+
++\prune{
+ \begin{figure}
+ \begin{center}
+ \includegraphics[width=\columnwidth]{2050.eps}
+ ...
+ \label{fig:v2as}
+ \end{figure}
+ A cross-section along the \hkl(1 -1 0) plane of the atomic structure
+ for a  C insertion temperature of \unit[2050]{$^{\circ}$C} is shown in
+ Fig.~\ref{fig:v2as}.
++}
+
+