diff --git a/Final/Final - Tight-binding propagation method.ipynb b/Final/Final - Tight-binding propagation method.ipynb index e0f4c61..d454443 100644 --- a/Final/Final - Tight-binding propagation method.ipynb +++ b/Final/Final - Tight-binding propagation method.ipynb @@ -623,21 +623,21 @@ }, "outputs": [], "source": [ - "def hopping(i, j, n):\n", + "def hopping(i, j, n, sigma=.25):\n", " \"\"\"\n", " Calculates hopping matrix elements t_ij for sigma = 0.25 in a 1D\n", " chain of n atoms at distance a = 1 from eachother.\n", " \n", " Args:\n", - " i: origin site index\n", - " j: destination site index\n", - " n: number of atoms in the chain\n", + " i: origin site index\n", + " j: destination site index\n", + " n: number of atoms in the chain\n", + " sigma: standard deviation to the Gaussian wave functions\n", "\n", " Returns:\n", " Hopping parameter t_ij.\n", " \"\"\"\n", " \n", - " sigma = .25\n", " positions = atomic_positions(n)\n", " \n", " # This 'infinity' is large enough, as the Gaussians decay quite quickly\n",