X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fsimulation.tex;fp=posic%2Fthesis%2Fsimulation.tex;h=cb04ce7082cb9ff1ddbfa0178c0cc3bd070a09cf;hp=1c9de4050dce5b57e6c79dee62e0bfc14a3f09de;hb=74eed718613ff04a1e09a6a5663ac4d38f733e61;hpb=a498ec4871627a0d0dc230022a5166af1db7d702 diff --git a/posic/thesis/simulation.tex b/posic/thesis/simulation.tex index 1c9de40..cb04ce7 100644 --- a/posic/thesis/simulation.tex +++ b/posic/thesis/simulation.tex @@ -188,7 +188,7 @@ Nevertheless, a further and rather uncommon test is carried out to roughly estim \subsection{Time step} The quality of the integration algorithm and the occupied time step is determined by the ability to conserve the total energy. -Therefore, simulations of a $9\times9\times9$ 3C-SiC unit cell containing 5832 atoms in total are carried out in the $NVE$ ensemble. +Therefor, simulations of a $9\times9\times9$ 3C-SiC unit cell containing 5832 atoms in total are carried out in the $NVE$ ensemble. The calculations are performed for \unit[100]{ps} corresponding to $10^5$ integration steps and two different initial temperatures are considered, i.e.\ \unit[0]{$^{\circ}$C} and \unit[1000]{$^{\circ}$C}. \begin{figure}[t] \begin{center}