From 71fee196e6992ab5807ce0483305f1291d3116e8 Mon Sep 17 00:00:00 2001 From: athomps Date: Wed, 18 Mar 2009 16:59:56 +0000 Subject: [PATCH] Updated SiCGe.tersoff to reflect Tersoff's subsequent errata git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2675 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- potentials/SiCGe.tersoff | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/potentials/SiCGe.tersoff b/potentials/SiCGe.tersoff index 52ab9da115..6b2ae95a26 100644 --- a/potentials/SiCGe.tersoff +++ b/potentials/SiCGe.tersoff @@ -36,18 +36,18 @@ Si(C) Si(C) Si(C) 3.0 1.0 1.7322 1.0039e5 16.218 -0.59826 0.78734 1.0999e-6 1.7322 471.18 2.85 0.15 2.4799 1830.8 # The later Tersoff potential for Carbon, Silicon, and Germanium -# J. Tersoff, PRB, 39, 5566 (1989) (fixed typo in value of d for Carbon) +# J. Tersoff, PRB, 39, 5566 (1989) + errata (PRB 41, 3248) # The Si and C parameters are very close to those in SiC.tersoff -C C C 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 2.2119 346.7 1.95 0.15 3.4879 1393.6 +C C C 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 2.2119 346.74 1.95 0.15 3.4879 1393.6 Si(D) Si(D) Si(D) 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 1.7322 471.18 2.85 0.15 2.4799 1830.8 Ge Ge Ge 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7 1.7047 419.23 2.95 0.15 2.4451 1769.0 -C Si(D) Si(D) 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 1.97205 395.1223 2.3573 0.1527 2.9839 1597.3111 +C Si(D) Si(D) 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 1.97205 395.1451 2.3573 0.1527 2.9839 1597.3111 C Si(D) C 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 0.0 0.0 1.95 0.15 0.0 0.0 C C Si(D) 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 0.0 0.0 2.3573 0.1527 0.0 0.0 -Si(D) C C 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 1.97205 395.1223 2.3573 0.1527 2.9839 1597.3111 +Si(D) C C 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 1.97205 395.1451 2.3573 0.1527 2.9839 1597.3111 Si(D) Si(D) C 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 0.0 0.0 2.3573 0.1527 0.0 0.0 Si(D) C Si(D) 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 0.0 0.0 2.85 0.15 0.0 0.0