X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic%2Fthesis%2Fd_tersoff.tex;h=c4273b23ce6c2956e5a94fd5c4e83453f9e36be8;hb=32c21339532fd82f670e5de878b9273da610eb99;hp=66abaed4244eb2f648ab13ae766c57ab2b0f09cd;hpb=5ddcac8e0e73d86f761b20d37efcd66ce41c7f08;p=lectures%2Flatex.git diff --git a/posic/thesis/d_tersoff.tex b/posic/thesis/d_tersoff.tex index 66abaed..c4273b2 100644 --- a/posic/thesis/d_tersoff.tex +++ b/posic/thesis/d_tersoff.tex @@ -32,7 +32,7 @@ f_C(r_{ij}) = \left\{ 0, & r_{ij} > S_{ij} \end{array} \right. \end{equation} -with $\theta_{ijk}$ being the bond angle between bonds $ij$ and $ik$ as shown in Figure \ref{img:tersoff_angle}.\\ +with $\theta_{ijk}$ being the bond angle between bonds $ij$ and $ik$ as shown in Figure~\ref{img:tersoff_angle}.\\ \\ For a three body potential, if $V_{ij}$ is not equal to $V_{ji}$, the derivative is of the form \begin{equation} @@ -138,7 +138,7 @@ are calculated and added in subsequent loops. b_{ij} \nabla_{{\bf r}_j} f_A(r_{ij}) + f_A(r_{ij}) \nabla_{{\bf r}_j} b_{ij} \big] \end{eqnarray} -Using the equality $\nabla_{{\bf r}_i} r_{ij}=-\nabla_{{\bf r}_j} r_{ij}$ +Using the equality $\nabla_{{\bf r}_i} r_{ij}=-\nabla_{{\bf r}_j} r_{ij}$, the following relations are valid: \begin{eqnarray} \nabla_{{\bf r}_j} f_R(r_{ij}) &=& - \nabla_{{\bf r}_i} f_R(r_{ij}) \\