https://github.com/sgbaird/latticeplane
Calculate atomic lattice plane densities in arbitrary crystal structures (CIF input) for arbitrary lattice planes (HKL indices).
https://github.com/sgbaird/latticeplane
cif crystallography hkl lattice-plane mathematica planar-density
Last synced: about 1 month ago
JSON representation
Calculate atomic lattice plane densities in arbitrary crystal structures (CIF input) for arbitrary lattice planes (HKL indices).
- Host: GitHub
- URL: https://github.com/sgbaird/latticeplane
- Owner: sgbaird
- License: mit
- Created: 2021-10-29T06:56:44.000Z (over 3 years ago)
- Default Branch: main
- Last Pushed: 2022-11-09T01:04:14.000Z (over 2 years ago)
- Last Synced: 2025-02-05T01:28:12.946Z (3 months ago)
- Topics: cif, crystallography, hkl, lattice-plane, mathematica, planar-density
- Language: Mathematica
- Homepage:
- Size: 2.64 MB
- Stars: 11
- Watchers: 3
- Forks: 1
- Open Issues: 2
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
# LatticePlane
Calculate atomic lattice plane densities in arbitrary crystal structures (CIF input) for arbitrary lattice planes (HKL indices).
For the paper, please refer to https://doi.org/10.1107/S1600576722001492.
## Dependencies
- [MaXrd package](https://github.com/Stianpr20/MaXrd)
## Installation
The following instructions are adapted from https://mathematica.stackexchange.com/a/672/61736.
1. Open `LatticePlane.m` in Mathematica
1. Choose `File` --> `Install...`
1. Choose `Type` --> `Package, Source` --> (the open notebook), `Install Name` --> `LatticePlane`
1. Load the package by evaluating (including the `<<`):
```mathematica
<