From b747186decc1c24779d8683361b577796ec9aded Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 29 Jan 2010 18:02:42 +0000
Subject: [PATCH] Set unused paramters to zero
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3759 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
potentials/GaN.tersoff | 8 ++++----
potentials/SiC.tersoff | 16 ++++++++--------
potentials/SiC.tersoff.zbl | 16 ++++++++--------
potentials/SiCGe.tersoff | 16 ++++++++--------
4 files changed, 28 insertions(+), 28 deletions(-)
diff --git a/potentials/GaN.tersoff b/potentials/GaN.tersoff
index e87217cb9b..966de632ab 100644
--- a/potentials/GaN.tersoff
+++ b/potentials/GaN.tersoff
@@ -16,15 +16,15 @@
1.44970 410.132 2.87 0.15 1.60916 535.199
N N N 1.0 0.766120 0.000 0.178493 0.20172 -0.045238 1.0 1.0
2.38426 423.769 2.20 0.20 3.55779 1044.77
- Ga Ga N 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 1.0
+ Ga Ga N 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 0.0
0.00000 0.00000 2.90 0.20 0.00000 0.00000
Ga N N 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 1.0
2.63906 3864.27 2.90 0.20 2.93516 6136.44
N Ga Ga 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 1.0
2.63906 3864.27 2.90 0.20 2.93516 6136.44
- N Ga N 1.0 0.766120 0.000 0.178493 0.20172 -0.045238 1.0 1.0
+ N Ga N 1.0 0.766120 0.000 0.178493 0.20172 -0.045238 1.0 0.0
0.00000 0.00000 2.20 0.20 0.00000 0.00000
- N N Ga 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 1.0
+ N N Ga 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 0.0
0.00000 0.00000 2.90 0.20 0.00000 0.00000
- Ga N Ga 1.0 0.007874 1.846 1.918000 0.75000 -0.301300 1.0 1.0
+ Ga N Ga 1.0 0.007874 1.846 1.918000 0.75000 -0.301300 1.0 0.0
0.00000 0.00000 2.87 0.15 0.00000 0.00000
diff --git a/potentials/SiC.tersoff b/potentials/SiC.tersoff
index 02cb68abfc..9a06932846 100644
--- a/potentials/SiC.tersoff
+++ b/potentials/SiC.tersoff
@@ -19,8 +19,8 @@ C C C 3.0 1.0 0.0 38049 4.3484 -.57058 .72751
Si Si Si 3.0 1.0 0.0 100390 16.217 -.59825 .78734
0.0000011 1.73222 471.18 2.85 0.15 2.4799 1830.8
-Si Si C 3.0 1.0 0.0 100390 16.217 -.59825 .78734
- 0.0000011 1.73222 471.18 2.36 0.15 2.4799 1830.8
+Si Si C 3.0 1.0 0.0 100390 16.217 -.59825 0.0
+ 0.0 0.0 0.0 2.36 0.15 0.0 0.0
Si C C 3.0 1.0 0.0 100390 16.217 -.59825 .787340
0.0000011 1.97205 395.126 2.36 0.15 2.9839 1597.3111
@@ -28,11 +28,11 @@ Si C C 3.0 1.0 0.0 100390 16.217 -.59825 .787340
C Si Si 3.0 1.0 0.0 38049 4.3484 -.57058 .72751
0.00000015724 1.97205 395.126 2.36 0.15 2.9839 1597.3111
-C Si C 3.0 1.0 0.0 38049 4.3484 -.57058 .72751
- 0.00000015724 2.2119 346.7 1.95 0.15 3.4879 1393.6
+C Si C 3.0 1.0 0.0 38049 4.3484 -.57058 0.0
+ 0.0 0.0 0.0 1.95 0.15 0.0 0.0
-C C Si 3.0 1.0 0.0 38049 4.3484 -.57058 .72751
- 0.00000015724 2.2119 346.7 2.36 0.15 3.4879 1393.6
+C C Si 3.0 1.0 0.0 38049 4.3484 -.57058 0.0
+ 0.0 0.0 0.0 2.36 0.15 0.0 0.0
-Si C Si 3.0 1.0 0.0 100390 16.217 -.59825 .78734
- 0.0000011 1.73222 471.18 2.85 0.15 2.4799 1830.8
+Si C Si 3.0 1.0 0.0 100390 16.217 -.59825 0.0
+ 0.0 0.0 0.0 2.85 0.15 0.0 0.0
diff --git a/potentials/SiC.tersoff.zbl b/potentials/SiC.tersoff.zbl
index 89b30df76f..122c793001 100644
--- a/potentials/SiC.tersoff.zbl
+++ b/potentials/SiC.tersoff.zbl
@@ -14,18 +14,18 @@
# element 1, element 2, element 3,
# m, gamma, lambda3, c, d, h, n, beta, lambda2, X_ij*B, R, D, lambda1, A, Z_i, Z_j, ZBLcut, ZBLexpscale
-Si Si Si 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 7.8734e-1 1.1e-6 1.7322 4.7118e2 2.85 .15 2.4799 1.8308e3 14 14 .95 14
+Si Si Si 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 7.8734e-1 1.1e-6 1.7322 4.7118e2 2.85 .15 2.4799 1.8308e3 14 14 .95 14
-Si Si C 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 7.8734e-1 1.1e-6 1.7322 4.7118e2 2.36 .15 2.4799 1.8308e3 14 14 .95 14
+Si Si C 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 0.0 0.0 0.0 0.0 2.36 .15 0.0 0.0 14 14 .95 14
-Si C Si 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 7.8734e-1 1.1e-6 2.0193 4.3215e2 2.85 .15 2.9726 1.6817e3 14 6 .95 14
+Si C Si 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 0.0 0.0 0.0 0.0 2.85 .15 0.0 0.0 14 6 .95 14
-C Si Si 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 9.9054e-1 4.1612e-6 2.0193 4.3215e2 2.36 .15 2.9726 1.6817e3 6 14 .95 14
+C Si Si 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 9.9054e-1 4.1612e-6 2.0193 4.3215e2 2.36 .15 2.9726 1.6817e3 6 14 .95 14
-C C Si 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 9.9054e-1 4.1612e-6 2.3064 3.8963e2 2.36 .15 3.4653 1.5448e3 6 6 .95 14
+C C Si 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 0.0 0.0 0.0 0.0 2.36 .15 0.0 0.0 6 6 .95 14
-C Si C 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 9.9054e-1 4.1612e-6 2.0193 4.3215e2 1.95 .15 2.9726 1.6817e3 6 14 .95 14
+C Si C 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 0.0 0.0 0.0 0.0 1.95 .15 0.0 0.0 6 14 .95 14
-Si C C 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 7.8734e-1 1.1e-6 2.0193 4.3215e2 2.36 .15 2.9726 1.6817e3 14 6 .95 14
+Si C C 1.0 1.0 0.0 1.0039e5 1.6217e1 -5.9825e-1 7.8734e-1 1.1e-6 2.0193 4.3215e2 2.36 .15 2.9726 1.6817e3 14 6 .95 14
-C C C 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 9.9054e-1 4.1612e-6 2.3064 3.8963e2 1.95 .15 3.4653 1.5448e3 6 6 .95 14
+C C C 1.0 1.0 0.0 1.9981e4 7.034e0 -3.3953e-1 9.9054e-1 4.1612e-6 2.3064 3.8963e2 1.95 .15 3.4653 1.5448e3 6 6 .95 14
diff --git a/potentials/SiCGe.tersoff b/potentials/SiCGe.tersoff
index 6b2ae95a26..80450414d0 100644
--- a/potentials/SiCGe.tersoff
+++ b/potentials/SiCGe.tersoff
@@ -44,18 +44,18 @@ Si(D) Si(D) Si(D) 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6
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 395.1451 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
+C Si(D) C 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 0.0 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 0.0 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 395.1451 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
+Si(D) Si(D) C 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0 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 0.0 0.0 0.0 2.85 0.15 0.0 0.0
Si(D) Ge Ge 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 1.71845 444.7177 2.8996 0.1500 2.4625 1799.6347
-Si(D) Si(D) Ge 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 0.0 0.0 2.8996 0.1500 0.0 0.0
-Si(D) Ge 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
+Si(D) Si(D) Ge 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0 0.0 0.0 2.8996 0.1500 0.0 0.0
+Si(D) Ge Si(D) 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0 0.0 0.0 2.85 0.15 0.0 0.0
Ge Si(D) Si(D) 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7 1.71845 444.7177 2.8996 0.1500 2.4625 1799.6347
-Ge Si(D) Ge 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7 0.0 0.0 2.95 0.15 0.0 0.0
-Ge Ge Si(D) 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7 0.0 0.0 2.8996 0.1500 0.0 0.0
+Ge Si(D) Ge 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 0.0 0.0 0.0 2.95 0.15 0.0 0.0
+Ge Ge Si(D) 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 0.0 0.0 0.0 2.8996 0.1500 0.0 0.0