gpaw
DFT and beyond within the projector-augmented wave method
Install
- All systems
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curl cmd.cat/gpaw.sh
- Debian
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apt-get install gpaw - Ubuntu
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apt-get install gpaw - Kali Linux
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apt-get install gpaw - Fedora
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dnf install gpaw - Windows (WSL2)
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sudo apt-get updatesudo apt-get install gpaw - Raspbian
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apt-get install gpaw - Dockerfile
- dockerfile.run/gpaw
gpaw
DFT and beyond within the projector-augmented wave method
A density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves.