more corrections

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

diff --git a/posic/thesis/vasp_patch.tex b/posic/thesis/vasp_patch.tex
index e495e8d..05b7439 100644 (file)
--- a/posic/thesis/vasp_patch.tex
+++ b/posic/thesis/vasp_patch.tex
@@ -2,14 +2,14 @@
 \label{app:patch_vasp}
 
 \section{Description}
-In the {\textsc vasp} code, the {\em selective dynamics} mode provides a feature to allow or constrain the change of each of the three coordinates for every single atom.
+In the \textsc{vasp} code, the {\em selective dynamics} mode provides a feature to allow or constrain the change of each of the three coordinates for every single atom.
 By this, however, applied constraints are restricted to the chosen basis.
 For the investigation of migration pathways utilizing the constrained relaxation technique as detailed in section~\ref{section:basics:migration}, the required constraint not necessarily corresponds to one of the coordinate axes as defined by the basis, which, in turn, is determined to enable a construction within the supercell approach.
 
-Thus, the functionality of the {\em selective dynamics} mode had to be extended by modifications in the particle position evaluation routine of {\textsc vasp}.
+Thus, the functionality of the {\em selective dynamics} mode had to be extended by modifications in the particle position evaluation routine of \textsc{vasp}.
 These modifications allow for a rotation of all atom coordinates individually before respective constraints are applied and a following, final inverse transformation.
 In that way, constraints for every single atom can be applied independently of the chosen basis.
-A patch against version 4.6 of the {\textsc vasp} code containing these modifications is available for download\footnote{http://www.physik.uni-augsburg.de/\~{}zirkelfr/download/posic/sd\_rot\_all-atoms.patch}.
+A patch against version 4.6 of the \textsc{vasp} code containing these modifications is available for download\footnote{http://www.physik.uni-augsburg.de/\~{}zirkelfr/download/posic/sd\_rot\_all-atoms.patch}.
 
 \section{Mode of operation}
 
@@ -40,7 +40,7 @@ direct
  0.75000 0.25000 0.75000 T T T 0.0 0.0
  0.25000 0.75000 0.75000 T T T 0.0 0.0
 \end{Verbatim}
-\caption{Example {\textsc vasp} input file utilizing the {\em transformed selective dynamics} mode of operation.}
+\caption{Example \textsc{vasp} input file utilizing the {\em transformed selective dynamics} mode of operation.}
 \label{fig:vasp_input}
 \end{figure}
 In case of the first atom, the basis is transformed by a rotation of $45^{\circ}$ and $30^{\circ}$ about the $z$ and $x'$ axis.