diff --git a/Final/Final - Tight-binding propagation method.ipynb b/Final/Final - Tight-binding propagation method.ipynb index 678da53..ca2e07b 100644 --- a/Final/Final - Tight-binding propagation method.ipynb +++ b/Final/Final - Tight-binding propagation method.ipynb @@ -631,9 +631,13 @@ " sigma = .25\n", " positions = atomic_positions(n)\n", " \n", - " infty = 1e3\n", - " epsilon = 1e-3\n", - " x = np.arange(-infty, infty, epsilon)\n", + " # This 'infinity' is large enough, as the Gaussians decay quite quickly\n", + " # away from the atomic positions, which we already saw in the overlap\n", + " # above.\n", + " # TODO: Remember https://www.wolframalpha.com/input?i=integrate+1%2F%28.25*sqrt%282pi%29%29*exp%28-.5*%28x%2F.25%29%5E2%29+for+x%3D-1..1.\n", + " infty = 1e2\n", + " h = 1e-6\n", + " x = np.arange(-infty, infty, h)\n", " \n", " def V(x):\n", " ret = np.zeros(x.shape)\n", @@ -683,12 +687,12 @@ "name": "stdout", "output_type": "stream", "text": [ - "-0.13881260449985544 -0.13881260449985544\n" + "-3.08808170797426e-06 -0.13849169656144708\n" ] } ], "source": [ - "print(hopping(1, 0, 10), hopping(0, 1, 10))\n", + "print(hopping(0, 2, 10), hopping(0, 1, 10))\n", "\n", "# YOUR CODE HERE\n", "#raise NotImplementedError()"