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Quantum mechanics applied to materials. PARSEC is a computer code that solves the Kohn-Sham equations by expressing electron wave-functions directly in real space, without the use of explicit basis sets. It uses norm-conserving pseudopotentials (Troullier-Martins and other varieties). It is designed for ab initio quantum-mechanical calculations of the electronic structure of matter, within density-functional theory. Choice of boundary conditions: periodic (on all three directions), or confined.

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PARSEC HOME | parsec.ices.utexas.edu Reviews

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Quantum mechanics applied to materials. PARSEC is a computer code that solves the Kohn-Sham equations by expressing electron wave-functions directly in real space, without the use of explicit basis sets. It uses norm-conserving pseudopotentials (Troullier-Martins and other varieties). It is designed for ab initio quantum-mechanical calculations of the electronic structure of matter, within density-functional theory. Choice of boundary conditions: periodic (on all three directions), or confined.

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2 software

3 publications

4 pseudopotentials

5 gallery

6 acknowledgements

7 downloads

8 parsec

9 structural relaxation

10 simulated annealing

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PARSEC HOME | parsec.ices.utexas.edu Reviews

https://parsec.ices.utexas.edu

Quantum mechanics applied to materials. PARSEC is a computer code that solves the Kohn-Sham equations by expressing electron wave-functions directly in real space, without the use of explicit basis sets. It uses norm-conserving pseudopotentials (Troullier-Martins and other varieties). It is designed for ab initio quantum-mechanical calculations of the electronic structure of matter, within density-functional theory. Choice of boundary conditions: periodic (on all three directions), or confined.

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parsec.ices.utexas.edu

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Gallery

http://parsec.ices.utexas.edu/photos

Quantum mechanics applied to materials. Some images from our work. 2012 James R Chelikowsky Contact Me.

2

Downloads

http://parsec.ices.utexas.edu/downloads

Quantum mechanics applied to materials. Here are the downloads! 2012 James R Chelikowsky Contact Me.

3

Software

http://parsec.ices.utexas.edu/styled-3

Quantum mechanics applied to materials. PARSEC is made available to the community free of charge, under the GNU General Public License. Please be aware that this code comes as is. We make no warranty with respect to any bugs and we cannot respond to help requests. See our user’s guide for help. Legal issues are covered by the. A trial version of the code (PARSEC 1.1) can be downloaded. This is an older version of PARSEC. Want the latest stable version? Write to us, the code is available on.

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Publications

http://parsec.ices.utexas.edu/styled

Quantum mechanics applied to materials. These are some of the basic references for PARSEC and the electronic structure problem:. J R Chelikowsky, N. Troullier, and Y. Saad,. Finite-difference-pseudopotential method: Electronic structure calculations without a basis. Phys Rev. Lett. J R Chelikowsky,. The pseudopotential-density functional method applied to nanostructures. J of Phys. D. M M G Alemany, M. Jain, L. Kronik, and J. R. Chelikowsky,. Phys Rev. B. Physica status solidi (b). Excited state forces w...

5

Pseudopotentials

http://parsec.ices.utexas.edu/styled-2

Quantum mechanics applied to materials. PARSEC requires pseudopotential input files. We recommend the norm-conserving pseudopotentials designed by Prof. J. L. Martins. Details of his construction method can be found. To expedite the use of these pseudopotentials, we have prepared a library of potentials that can be directly input in PARSEC. You can get them by clicking on the element in the following. 2012 James R Chelikowsky Contact Me.

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dft4nano

https://sites.google.com/site/dft4nano

Derek A. Stewart - Nanoscale Simulation. Upcoming and Recent Events. New Horizons for Memory Storage. June 29 July 1 2016. Hot Nanostructures: thermal transport and radiation at the nanoscale. Sept 30 - Oct. 2, 2015. Max Plank Institute for Polymer Research. Derek A. Stewart - Nanoscale Simulation. Open Positions in the Group. Workshops I have Organized. Derek's Research Picture Gallery. Equation of State (EOS) tools. NNIN Virtual Vault for Pseudopotentials. Derek A. Stewart - Nanoscale Simulation. Artic...

excited-state-scidac.org

Excited State SCIDAC: Codes

http://www.excited-state-scidac.org/p/codes.html

Http:/ www.berkeleygw.org. 160;A massively parallel GW-BSE code. Http:/ parsec.ices.utexas.edu. 160;A massively scalable real-space DFT code. Subscribe to: Posts (Atom). Meetings of the SciDAC Team. Awesome Inc. template. Powered by Blogger.

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BerkeleyGW2013

http://www.nersc.gov/users/training/nersc-training-events/berkeleygw2013

Usage and User Demographics. NERSC HPC Achievement Awards. User Submitted Research Citations. Storage and File Systems. Job Logs and Statistics. Request Repository Mailing List. Benchmarking and Workload Characterization. Application Readiness Across DOE Labs. Shifter: User Defined Images. Storage and File Systems. Job Logs and Statistics. Getting Started User Guide. Paraver and BSC Tools Training - Understanding Application Performance with Paraver. Score-P and Scalasca Performance Tools Training. Navig...

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parsec.cs.princeton.edu

The PARSEC Benchmark Suite

PARSEC 3.0 Beta Release. A Toturial will be held at ISCA'11. PARSEC 2.1 released. PARSEC 2.0 binary distributions released. PARSEC 2.0 released. Over 1,000 downloads! The Princeton Application Repository for Shared-Memory Computers (PARSEC) is a benchmark suite composed of multithreaded programs. The suite focuses on emerging workloads and was designed to be representative of next-generation shared-memory programs for chip-multiprocessors. Who can use PARSEC?

parsec.cyberarmy.com

CyberArmy Login

parsec.de

Willkommen bei parsec - we keep your business running

We keep your business running. Ist einer der fÃ hrenden MÃ nchener. IS/IT-Berater - seit Ã ber 20 Jahren sind wir erfolgreich im GroÃ raum MÃ nchen, SÃ dbayern sowie Salzburg und Tirol tÃ tig. Seit 2010 haben wir unsere Ausrichtung verÃ ndert. Inhaber und GeschÃ ftsfÃ hrer Dipl.-Inform. Michael Tauber. Fokussiert seine Angebote und Leistungen in Richtung Projektberatung, Projektmanagement und EinfÃ hrungsbegleitung rund um. LÃ sungen fÃ r kleine und mittelstÃ ndische Unternehmen (KMUs). Michael Tauber: "...

parsec.es

Parsec

0034 91 344 91 38. Parsec was established in 1996 as a company dedicated to develop reservation systems making use of the latest Internet technologies. We have acquired wide experience customizing our booking engine for different travel company profiles: incoming, traditional tour operators, online travel agencies, consolidators. Our deployments serve large companies as well as very small agencies: we can create a budget solution for every need. 0034 91 344 91 38.

parsec.eu

Home - Parsec - Comunicare per fidelizzare

Video animati e corsi di formazione. Oggi il tempo scorre davvero in fretta e tutto cambia a una velocità imprevedibile. Bisogna stare al passo con i tempi per non perdere il contatto con la realtà e con le nuove opportunità. Chi smette di fare pubblicità per risparmiare soldi è come se fermasse l’orologio per risparmiare il tempo. Fondatore della Ford Motor Company. Se volete visitare i nostri siti degli articoli promozionali: Texpromotion. Per tutte le promozioni e Promobadge.

parsec.ices.utexas.edu

PARSEC HOME

Quantum mechanics applied to materials. PARSEC is a computer code that solves the Kohn-Sham equations by expressing electron wave-functions directly in real space, without the use of explicit basis sets. It uses norm-conserving pseudopotentials (Troullier-Martins and other varieties). It is designed for ab initio quantum-mechanical calculations of the electronic structure of matter, within density-functional theory. Choice of boundary conditions: periodic (on all three directions), or confined.

parsec.ie

Parsec.ie Website Under Construction

Parsec.ie is under construction. Please come back soon! Contact Ian Hooper Managing Director. EMAIL : info@parsec.ie.

parsec.inasentence.org

parsec in a sentence | simple examples

In A Sentence .org. The best little site that helps you understand word usage with examples. Parsec in a sentence. Completely true, but Github still beats Codeplex by. Google Kessel Run in Less Than Twelve. Seems to have the same kind of advantage. The parser combinators like. For Haskell) are also quite pleasant to work with. What have you been using to learn how to use. Could you post a link to. I recently completed a project using FParsec (), which is a parser combinator () library based on Haskells.

parsec.ind.br

Parsec

Rua 2000, 863 sl. 01. 88330-466 - Balneário Camboriú - SC. Rua Bruno Filgueira, 2160 sl. 103. 80730-380 - Curitiba - PR.

parsec.info

Parsec: Programación web, Programas a medida y Desarrollo de apps para iPhone, iPad y Android

PROGRAMACIÓN WEB Y SMARTPHONE. Programación iOS y Android. Programas de gestión a medida. TV Studio Pro: Nuestra plataforma de creación y administración de una Televisión por Internet. Conocer más ». Sistema de Formación Online. Parsec comercializa SFPro, un Sistema de formación online (Learning Management System). Más acerca de SFPro ». Programa de Gestión Hotelera. El programa de gestión de hotel desarrollado por Parsec, para Mac y Windows. Más acerca de Adapto ». Nuestras aplicaciones y servicios de p...

parsec.insubordinations.net

PARSEC | free improvisation / noise / jazz trio

Is a free improvisation trio which draws its colours extensively in various current musical languages, from the densities and dynamics of free jazz, to the noise vague, but also with some microtonal elements, in order to try a synthesis, but also a creation rooted in our fast changing and unpredictable times. This trio is composed of experienced musicians who like to take crossed-paths and to share to the public their quest of the unknown and surprise. Born in Geneva in 1957, musician and composer, takes...