Bulk Silica

30 minutes

Summary

Amorphous silica (SiO₂) is found in a variety of places, and is a relatively simple, network forming glass. Here we’ll set up a bulk silica simulation in a unit cell of our own design, and which can serve as the basis for other tutorials.

Preparation

Download the example data archive from the GitHub releases page and unpack it if you haven’t done so already. Alternatively, download the data files listed below and save them to a location of your choice.

Neutron data file: SiO2_NIMROD.mint01

Save your input file under a sensible name in same directory as the example data

Let's begin!

Step 1 - Set up Atom Types

Step 2 - Set up Atomic Species

Step 3 - Set up a Configuration

Step 4 - Set up Processing

Step 5 - Equilibrate the Box

Step 6 - Set up Potential Refinement

Step 7 - Analyse the Structure

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Last modified September 12, 2025: doc: Fix some typos, contributors, example data links. (#2197) (e8752295e)