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gpaw - A grid-based real-space PAW method DFT code

Description:

GPAW is 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 or atom-centered basis-functions.

Packages

- mpich version 3 in EL6
- use atlas on aarch64
- ppc64 on EL7

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