GPAW

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GPAW a real-space DFT code using the projector-augmentet wave (PAW) method. Calculations with GPAW is done using the ASE environment.

Contents

Availability

Resource Centre Description
Abisko HPC2N capability resource of 153 TFLOPS with full bisectional infiniband interconnect
Akka HPC2N capability cluster resource of 54 TFLOPS with infiniband interconnect
Beda C3SE throughput cluster resource
Glenn C3SE throughput cluster resource
Lindgren PDC Cray XE6 capability cluster with 305 TFLOPS peak performance
Platon LUNARC throughput cluster resource of 26 TFLOPS

License

License: Free.

The GPAW code is distributed under LGPL.

Experts

No experts have currently registered expertise on this specific subject. List of registered field experts:
Field AE FTE General activities
Erik Fransson (C3SE) C3SE Computational materials science 100100 Various modification and analysis tool development
Johan Raber (NSC) NSC Computational chemistry 5050
Pavlin Mitev (UPPMAX) UPPMAX Computational materials science 4545
Torben Rasmussen (NSC) NSC Computational chemistry 100100 Application expert coordinator (25% FTE).
Installation and support of computational chemistry software.
Snicdocs editing and development.
Weine Olovsson (NSC) NSC Computational materials science 9090 Application support, installation and help

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