bandstructure_calculator
Create bandstructures using minimal dependencies.
Summary
| Latest Version | Unknown |
|---|---|
| License | Unknown |
| CI Status | Failing |
| Stars | 1 |
| Forks | 0 |
| Open Issues | 0 |
| Last Commit | 2020-11-11 |
| Downloads | 0 |
| Last Indexed | 2026-09-06 07:40 |
Tags
Installation
nimble install bandstructure_calculator
choosenim install bandstructure_calculator
git clone https://gitlab.com/wangenau/bandstructure_calculator
OS Compatibility
| Platform | Linux | macOS | Windows | FreeBSD | OpenBSD | NetBSD | Android | iOS | WASM | Embedded |
|---|---|---|---|---|---|---|---|---|---|---|
| bandstructure_calculator | ✓ | ✓ | ✓ | - | - | - | - | - | - | - |
Source
| Repository | https://gitlab.com/wangenau/bandstructure_calculator |
|---|---|
| Homepage | https://gitlab.com/wangenau/bandstructure_calculator |
| Registry Source | gitlab |
README
bandstructure_calculator
A bandstructure calculator in Python3 with minimal dependencies.
Dependencies
Recommended package versions * matplotlib 3.0.3 * numpy 1.18.5
To install them use the command:
pip3 install -r requirements.txt
Usage
To learn about the usage of this package, take a look inside silicon_example.py.
The example can be ran with:
python3 silicon_example.py
It will generate a bandstructure like the following:
Currently supported are the materials * silicon (Si) * germanium (Ge) * tin (Sn)
and the lattice types * simple cubic (sc) * body-centered cubic (bcc) * face-centered cubic (fcc) * diamond (diamond)
To generate other bandstructures one may has to implement new pseudopotentials and/or new lattice types in grid_generator and bandpath.
License
This project is licensed under the MIT License - see the LICENSE file for details.