From: hackbard Date: Sun, 22 May 2011 21:39:10 +0000 (+0200) Subject: small changes X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=commitdiff_plain;h=b51d9e884549431c813d708acdde8b02ce46dacd;hp=8b561b21134ce68789e71a53357177540516d478 small changes --- diff --git a/bibdb/bibdb.bib b/bibdb/bibdb.bib index f2f91b3..5fe3369 100644 --- 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 2f098d5..943882c 100644 --- 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!