File list
A fast and precise DFT wavelet code
This special page shows all uploaded files.
 Date |
Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 14:08, 26 February 2019 | MAX-centre logo.png (file) |  | 78 KB | Deutsch | 2 | |
| 07:33, 28 February 2018 | Rangel-Caliste-Genovese-Torrent-2016.pdf (file) | Error creating thumbnail: libgomp: Thread creation failed: Resource temporarily unavailable | 1.07 MB | Deutsch | (First article about PAW) | 1 |
| 16:45, 9 February 2018 | ICTP.pdf (file) | Error creating thumbnail: libgomp: Thread creation failed: Resource temporarily unavailable | 7.04 MB | Deutsch | (Presentation from Thierry Deutsch at the Max ICTP Conference January 30. 2018) | 1 |
| 14:12, 25 April 2017 | Logo-BigDFT.png (file) |  | 90 KB | Deutsch | (Logo of BigDFT) | 1 |
| 15:32, 29 March 2017 | NOMAD Logo.png (file) |  | 629 KB | Deutsch | (NOMA logo for http://repository.nomad-coe.eu/cms/) | 1 |
| 14:07, 23 February 2017 | TiO2-surface.png (file) |  | 401 KB | Deutsch | 2 | |
| 09:42, 1 September 2015 | ScientificReports.5.13143.pdf (file) |  | 1.43 MB | Deutsch | (Artciel in 2015 about Ni40Ta60 metallic glasses + STM) | 1 |
| 09:03, 1 September 2015 | Genovese-Deutsch-2015.pdf (file) |  | 566 KB | Deutsch | (New scheme to represent analytic function in a grid preserving the momenta of the given function. Published in 2015.) | 1 |
| 09:01, 1 September 2015 | Percent-cinchonidine.png (file) |  | 144 KB | Deutsch | (Show in function of hgrid that the collocation scheme is not numerically stable for the local part of potential depending strongly on the monopole error (total ionic charge)) | 1 |
| 13:00, 30 July 2015 | 2015-JCTC.png (file) |  | 467 KB | Deutsch | (From the article JCTC, 11, 2077 (2015)) | 1 |
| 12:04, 3 July 2015 | PRB92-014101-Fig-1.png (file) |  | 717 KB | Deutsch | 1 | |
| 09:34, 26 November 2014 | PRB90-155302-Fig-1.png (file) |  | 462 KB | Deutsch | (Strain effects and intermixing at the Si surface: Importance of long-range elastic corrections in first-principles calculations Fig. 1: An illustration of a relaxed Si surface with a Ge adatom (in blue) in pedestal position. The surface is reconstructe...) | 1 |
| 08:07, 2 September 2014 | PRB90-054117-Fig-5.png (file) |  | 162 KB | Deutsch | (Remove the legend) | 2 |
| 08:00, 2 July 2014 | Linear2014.png (file) |  | 172 KB | Deutsch | (Show localisation regions used in the linear version) | 1 |
| 07:43, 2 July 2014 | Mohr--2014-linear BigDFT.pdf (file) |  | 1.53 MB | Deutsch | (Reference article about the linear version of BigDFT) | 1 |
| 13:25, 23 September 2013 | 2013-09 TD Hands On.pdf (file) |  | 105 KB | Deutsch | (Hands on Multiscale Modelling Methods for Applications in Materials Science CECAM JÜLICH , GERMANY, September 18, 2013 Supercomputer plx in CINECA ) | 1 |
| 15:55, 20 September 2013 | 2012-02 BigDFT HandsOn.pdf (file) |  | 972 KB | Deutsch | (BigDFT hands-on 2012, OAK RIDGE, TENNESSEE, USA February 6-8 2012 Damien Caliste ) | 1 |
| 15:54, 20 September 2013 | 2012-02 BigDFT HPC.pdf (file) |  | 869 KB | Deutsch | (BigDFT approach to High Performance Computing Daubechies Wavelets in Electronic Structure Calculation: BigDFT Code Tutorial ORNL/NICS, Oak Ridge, Tennessee, February 6-8 2012 Author: Luigi Genovese ) | 1 |
| 15:52, 20 September 2013 | 2012-02 BigDFT Formalism.pdf (file) |  | 9.85 MB | Deutsch | (Presentation of the formalism used in BigDFT Electronic Structure Calculation Methods on Accelerators, Oak Ridge, February 6-8 2012 ) | 1 |
| 13:59, 18 September 2013 | CH4 input.dft (file) |  | 1 KB | Deutsch | (Replace output_grid by output_denspot in the comment) | 2 |
| 12:44, 18 September 2013 | 2013-09 TD BigDFT Introduction.pdf (file) |  | 5.53 MB | Deutsch | (Course given during the CECAM tutorial Multiscale Modelling Mathods for Applications in Materials Science, 16-20 September 2013, Forschungzentrum centre, Jülich, Germany) | 1 |
| 12:45, 31 July 2013 | 2013-07 TD BigDFT Introduction.pdf (file) |  | 2.69 MB | Deutsch | (Course given during the CECAM tutorial 'Atomistic and molecular simulations on massively parallel architectures', July 16, 2013 to July 19, 2013 Location : Chimie ParisTech, Paris, France Authors: Damien Caliste, Luigi Genovese, Thierry Deutsch) | 1 |
| 14:53, 5 April 2013 | Magic-filter.png (file) |  | 66 KB | Deutsch | (Figure 1 of the paper An efficient numerical quadrature for the calculation of the potential energy of wavefunctions expressed in the Daubechies wavelet basis which describes one of the main feature of BigDFT) | 1 |
