Diamond band structure

Tight Binding

Introduction There are many methods to calculate band structures of crystals. I implemented the Empirical Pseudopotential project, some of the code can be reused for other methods. One of the methods is simple and fast, the tight binding method, so I simply took the code from the last project, cut a part out and modified … Read moreTight Binding

Ge band structure

Empirical Pseudopotential

Introduction I did not write anything on the blog for a long time. I was very busy, I had less time for it. Nevertheless, I did some work on some projects related with it. One of them, a DFT program that calculates a molecule with the supercell method, was supposed to be the theme for … Read moreEmpirical Pseudopotential

d orbital

DFT for a Quantum Dot

Introduction This post is describing another project that is leading (hopefully) towards something a little more serious: DFT Quantum Dot1. It will be a very short description because it’s Sunday. As usual, here is the program in action: It displays the quantum dot ‘orbitals’ with VTK volume rendering. Do not assign much physical reality to … Read moreDFT for a Quantum Dot

Poisson

Solving Poisson Equation

Introduction When I started this blog I already expected to have projects that use the Fast Fourier Transform. I actually wrote down several topic ideas for the blog, both solving the Poisson equation and the subject this post will lead to were there, too. I already mentioned in the Relaxation Method post that one can … Read moreSolving Poisson Equation

Nuclear Magnetic Resonance and Fourier Transform

Introduction I needed to use Fast Fourier Transform for a project that I’ll implement (hopefully) for this blog. Something quite different from the theme of this post, but I won’t reveal it. Depending on my free time and mood, I might have it working in a week or I might even drop it. I do … Read moreNuclear Magnetic Resonance and Fourier Transform