conquest
CONQUEST: Large-scale DFT calculations
CONQUEST: Large-scale DFT calculations
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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.
Summary
CONQUEST: Large-scale DFT calculations
Last Updated
Jul 12, 2024 at 20:35
License
MIT
Total Downloads
24.8K
Supported Platforms
GitHub Repository
https://github.com/OrderN/CONQUEST-releaseDocumentation
https://conquest.readthedocs.io