small changes

diff --git a/bibdb/bibdb.bib b/bibdb/bibdb.bib
index f2f91b3f502f6b8b4ea9a65aa4500f84da774af9..5fe3369533a44552058dbacdd9bc990df0831481 100644 (file)
--- a/bibdb/bibdb.bib
+++ b/bibdb/bibdb.bib
@@ -5001,3 +5001,19 @@
   keywords =     "Ion implantation",
   notes =        "incoherent 3c-sic precipitate",
 }
+
+@Article{davidson75,
+  title =        "The iterative calculation of a few of the lowest
+                 eigenvalues and corresponding eigenvectors of large
+                 real-symmetric matrices",
+  journal =      "Journal of Computational Physics",
+  volume =       "17",
+  number =       "1",
+  pages =        "87--94",
+  year =         "1975",
+  note =         "",
+  ISSN =         "0021-9991",
+  doi =          "DOI: 10.1016/0021-9991(75)90065-0",
+  URL =          "http://www.sciencedirect.com/science/article/pii/0021999175900650",
+  author =       "Ernest R. Davidson",
+}

diff --git a/posic/thesis/simulation.tex b/posic/thesis/simulation.tex
index 2f098d52786e794589eea5c84af409b4e38f52e0..943882c3257b91c555af734338c15fe71c1e894d 100644 (file)
--- a/posic/thesis/simulation.tex
+++ b/posic/thesis/simulation.tex
@@ -142,10 +142,11 @@ As a last test, the equilibrium lattice parameters and cohesive energies of Si,
 However, in the current calculations, the entire parameter set as determined in the beginning of this section is applied.
 \begin{table}[t]
 \begin{center}
-\begin{tabular}{l r c c c c c}
+\begin{tabular}{l c c c}
 \hline
 \hline
  & Si (dia) & C (dia) & 3C-SiC \\
+\hline
 $a$ [\AA] & 5.458 & 3.562 & 4.365 \\
 $\Delta_a$ [\%] & 0.5 & 0.1 & 0.1 \\
 \hline
@@ -162,7 +163,6 @@ Table \ref{table:simulation:paramf} shows the respective results and deviations
 A nice agreement with experimental results is achieved.
 Clearly, a competent parameter set is found, which is capabale of describing the C/Si system by {\em ab initio} calculations.
 
-
 % todo
 % rewrite dft chapter
 % ref for experimental values!