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conquest

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CONQUEST: Large-scale DFT calculations

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::conquest

Usage Tracking

1.3
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Downloads (Last 6 months): 0

Description

CONQUEST is a DFT code designed for large-scale calculations, with excellent parallelisation. It gives a consistent, exact diagonalisation approach for systems from 1 to 10,000+ atoms, and brings the possibility of linear scaling calculations on over 1,000,000 atoms. The code has been demonstrated on scaling to nearly 200,000 cores and 2,000,000 atoms.

About

Summary

CONQUEST: Large-scale DFT calculations

Last Updated

Jul 12, 2024 at 20:35

License

MIT

Total Downloads

24.8K

Supported Platforms

linux-64
macOS-64