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QEForge

QEforge is a web portal offering support to researchers active in the field of computer simulation and numerical modeling of matter and materials at the atomic scale. The most popular source code management (CVS, SVN or Git ) systems, mailing lists, public forums, download space, wiki pages, and much more are provided through the. QEforge is a free service offered to researchers from all over the world by the Quantum ESPRESSO Foundation. Anybody is warmly welcome to join the QEforge community. If you exp...

http://www.qe-forge.org/

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QEforge is a web portal offering support to researchers active in the field of computer simulation and numerical modeling of matter and materials at the atomic scale. The most popular source code management (CVS, SVN or Git ) systems, mailing lists, public forums, download space, wiki pages, and much more are provided through the. QEforge is a free service offered to researchers from all over the world by the Quantum ESPRESSO Foundation. Anybody is warmly welcome to join the QEforge community. If you exp...
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QEForge | qe-forge.org Reviews

https://qe-forge.org

QEforge is a web portal offering support to researchers active in the field of computer simulation and numerical modeling of matter and materials at the atomic scale. The most popular source code management (CVS, SVN or Git ) systems, mailing lists, public forums, download space, wiki pages, and much more are provided through the. QEforge is a free service offered to researchers from all over the world by the Quantum ESPRESSO Foundation. Anybody is warmly welcome to join the QEforge community. If you exp...

SUBDOMAINS

qeforge.qe-forge.org qeforge.qe-forge.org

QEForge

Is a web portal offering support to researchers active in the field of computer simulation and numerical. Modeling of matter and materials at the atomic scale. The most popular source code management (SVN or GIT). Systems, mailing lists, public forums, download space, wiki pages, and much more are provided through the. Is a free service offered to researchers from all over the world by the Quantum ESPRESSO Foundation,. To join the QEforge community. In order to register to the portal. Accessing as anonym...

pwtk.qe-forge.org pwtk.qe-forge.org

Table of Contents

PWTK - PWscf ToolKit. 21 Defining Programs and Directories. 22 Specifying Input Data. 24 Retrieving Input Data. 25 Data Retrieval and Loading Functions. 26 Batch Queuing Support. Pwtk: ATOMIC POSITIONS math parser. Pwtk: card math parser. Pwtk: CELL PARAMETERS math parser. Pwtk: input: stack level. Pwtk: pwi: ATOMIC POSITIONS fromPWO. Pwtk: pwi: ATOMIC POSITIONS fromXSF. Pwtk: pwi: CELL PARAMETERS and ATOMIC POSITIONS fromPWO. Pwtk: pwi: CELL PARAMETERS and ATOMIC POSITIONS fromXSF. Pwtk: pwo: job done.

INTERNAL PAGES

qe-forge.org qe-forge.org
1

QEForge > Projects > QE-GPU > Home

http://www.qe-forge.org/gf/project/q-e-gpu

Is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. Aim of this project is to create a plugin-like component for the standard Quantum ESPRESSO package that allows to exploit the capabilities of. GPU graphics cards in order to allow materials scientists to do better and fast science. Official QE-GPU source code can be found on GitHub. New releases will be posted on both QE-FORGE and GitHub. Request to join project.

2

QEForge > Projects > DFPT+U > Home

http://www.qe-forge.org/gf/project/dfptu

No news items found. Commit: Fix of the bug related to the correction to the response occupation matrix dnsscf for metals at q=0. Commit: Removed some backup files. Commit: Calculate the tab at matrix calling init at 1.f90 from PHONON, instead of from PW. This is the last step to make PHONON independent from PW with respect to the DFTPT U implementation. Commit: Some backup files deleted, a directory Doc dfptu created and some doc files moved there. Commit: Test of a commit, no consequence for the code.

3

QEForge > Projects > Unfold > Home

http://www.qe-forge.org/gf/project/unfold

No news items found. Commit: Compiles and works with QE 5.3.0. Forum post: Re: Cannot Access the package. Commit: Added CELL PARAMETERS input option. Forum post: Cannot Access the package. Commit: Updated the installation intructions. Patches are no longer needed. Commit: Updated to QE 5.1. Commit: Added unklist.x compilation. Commit: Added input parsing, removed support for CELL PARAMETERS input. Commit: Added self contained input reading. Pathing not needed anymore. Commit: removed debug write.

4

QEForge > Projects > Quantum ESPRESSO > Home

http://www.qe-forge.org/gf/project/q-e

Quantum ESPRESSO is an integrated suite of open-source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Quantum ESPRESSO stands for op E. Imulation, and O. Web page: www.quantum-espresso.org. Facebook: http:/ www.facebook.com/QuantumESPRESSO. Quantum ESPRESSO v5.4.0. Quantum ESPRESSO v5.4.0 is available for download. Quantum ESPRESSO v5.3.0. QE for Windows excutables. QE executables, ...

5

QEForge > Projects > Frozen Density Embedding > Home

http://www.qe-forge.org/gf/project/fde

This is the implementation of Frozen Density Embedding (FDE) 1. The FDE method is implemented thanks to image parallelization, and a serial version compilation is not possible. The SCF and evaluation of the non-additive potentials and functionals is performed on each fragment in parallel. An FDE run can be carried out in two ways 2. 1 non-additive potentials are updated at every SCF step. The code can also perform ab-initio molecular dynamics as well as real-time TD-DFT simulations 3. No news items found.

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testwp.qe-forge.it testwp.qe-forge.it

| QUANTUMESPRESSO |

http://testwp.qe-forge.it/tools.php

Vai al menu principale. WHAT CAN QE DO. Input data can be prepared using the graphical user interface PWGui. Visualization of the results can be obtained using XCrySDen. Other software that can produce input data or read output data for Quantum ESPRESSO:. Interested in most recent developments? Go to the developers' portal QE-forge. There you can access the latest version from the Quantum ESPRESSO SVN repository. Follow the instructions to access the SVN repository via anonymous SVN. The ViewVC.

wannier-transport.org wannier-transport.org

Links - Wannier Transport

http://www.wannier-transport.org/wiki/index.php/Links

Useful links, without any aims of completeness, are reported below:. CNR, Istituto Nanoscienze, S3 Center. Marco Buongiorno Nardelli's group. European THeoretical Spectroscopy Facility, ETSF. Retrieved from " http:/ www.wannier-transport.org/wiki/index.php? This page was last modified on 9 October 2012, at 17:41. This page has been accessed 4,559 times.

epw.org.uk epw.org.uk

EPW Main/About

http://epw.org.uk/Main/About

EPW is the short name for "Electron-phonon Wannier". EPW is an open-source F90/MPI code which calculates properties related to the electron-phonon interaction using Density-Functional Perturbation Theory. And Maximally Localized Wannier Functions. EPW is developed and maintained by Samuel Poncé. The reference technical manuscript for the latest pubic release is:. EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions. The phonon linewidths and ...

iasarsari.blogspot.com iasarsari.blogspot.com

Condensed matter physics: Links

http://iasarsari.blogspot.com/p/links.html

Experimental Condensed Matter Group. The research group of Professor Hadi Salameti ). Computational Material Science Group. The research group of Professor Hadi Akbarzadeh ). Fritz Haber Institute of the Max Planck Society. Full-Potential / All-Electron Electronic Structure Theory with Local Orbitals. Many Body Electronic Structure Theory. Fritz Haber Institute of the Max Planck Society ). The periodic table on the web. ICTP Diploma course online. A simple fortran 90 course. Prof Van de Walle.

wannier-transport.org wannier-transport.org

Wannier Transport

http://www.wannier-transport.org/wiki/index.php/Special:Random

Is a GPL open-source scientific software aimed at simulating quantum transport. Properties (conductance) of nanojunctions. Atomistically described) by using a real space Wannier function. Description of the Hamiltonian of the system. Want 2.5.1. Access to SVN repository. How do I cite WanT? Wannier functions for fcc-Copper. Retrieved from " http:/ www.wannier-transport.org/wiki/index.php? This page was last modified on 9 June 2016, at 23:40. This page has been accessed 105,481 times.

comp-nano.blogspot.com comp-nano.blogspot.com

Workshop on Computational Nanoscience : Workshop Program

http://comp-nano.blogspot.com/2014/04/v-behaviorurldefaultvmlo_5.html

Workshop on Computational Nanoscience. Workshop on Computational Nanoscience held at the Center for Informatics, School of Natural Sciences, Shiv Nadar University, UP, India,30 March – 5 April 2014. Saturday, 5 April 2014. Workshop on Computational Nanoscience. Hosted by the Center for Informatics, School of Natural Sciences (SoNS). 30 March – 5 April, 2014. 30 March 2014, Sunday. Seminar Hall 1, Ground Floor, C Wing, Academic Block. Vijay Kumar (Shiv Nadar University and Dr. Vijay Kumar Foundation).

comp-nano.blogspot.com comp-nano.blogspot.com

Workshop on Computational Nanoscience : April 2014

http://comp-nano.blogspot.com/2014_04_01_archive.html

Workshop on Computational Nanoscience. Workshop on Computational Nanoscience held at the Center for Informatics, School of Natural Sciences, Shiv Nadar University, UP, India,30 March – 5 April 2014. Monday, 7 April 2014. Speakers and participants photos. Saturday, 5 April 2014. Spin of Holes in Semiconductors. It is my great pleasure to join in this blog. Let me start my activity with a interesting question. 1) Can anybody explain the spin of hole created in a semiconducting materials? If it has spin;.

comp-nano.blogspot.com comp-nano.blogspot.com

Workshop on Computational Nanoscience : Spin of Holes in Semiconductors

http://comp-nano.blogspot.com/2014/04/spin-of-holes-in-semiconductors.html

Workshop on Computational Nanoscience. Workshop on Computational Nanoscience held at the Center for Informatics, School of Natural Sciences, Shiv Nadar University, UP, India,30 March – 5 April 2014. Saturday, 5 April 2014. Spin of Holes in Semiconductors. It is my great pleasure to join in this blog. Let me start my activity with a interesting question. 1) Can anybody explain the spin of hole created in a semiconducting materials? If it has spin;. 5 April 2014 at 12:19. Subscribe to: Post Comments (Atom).

comp-nano.blogspot.com comp-nano.blogspot.com

Workshop on Computational Nanoscience : Workshop Outline

http://comp-nano.blogspot.com/2014/04/topics-covered-materialsat-nanoscale.html

Workshop on Computational Nanoscience. Workshop on Computational Nanoscience held at the Center for Informatics, School of Natural Sciences, Shiv Nadar University, UP, India,30 March – 5 April 2014. Saturday, 5 April 2014. Materials at the nanoscale – Designing materials with tuneable properties. Computational methods – Density functional theory. Finite temperature ab initio. Molecular dynamics on nanomaterials. Time dependent DFT and spectroscopy. The Slater transition state. Format of the Workshop.

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QEForge

QEforge is a web portal offering support to researchers active in the field of computer simulation and numerical modeling of matter and materials at the atomic scale. The most popular source code management (CVS, SVN or Git ) systems, mailing lists, public forums, download space, wiki pages, and much more are provided through the. QEforge is a free service offered to researchers from all over the world by the Quantum ESPRESSO Foundation. Anybody is warmly welcome to join the QEforge community. If you exp...

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