CPMD

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CPMD a plane-wave DFT particularly designed for ab-initio molecular dynamics.

Availability

Resource Centre Description
Kappa NSC throughput cluster resource of 26 TFLOPS
Lindgren PDC Cray XE6 capability cluster with 305 TFLOPS peak performance
Triolith NSC Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree

License

License: Free.

Requires acceptance of license agreement to obtain credentials that enable download of source.

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
Michael Stenrup (UPPMAX) UPPMAX Computational chemistry 2525
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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