File list
Jump to navigation
Jump to search
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 15:57, 16 December 2020 | Common-Brillouin-zone-of-diamond-and-zinc-blende-semiconductors Q640.jpg (file) |  |
26 KB | Andrea Ferretti | 1 | |
| 18:08, 1 April 2021 | Cnt chirality.jpg (file) |  |
26 KB | Daniele Varsano | 1 | |
| 13:58, 16 December 2020 | Figure alat 80Ry.png (file) |  |
26 KB | Andrea Ferretti | 1 | |
| 13:57, 16 December 2020 | Figure alat 40Ry.png (file) |  |
27 KB | Andrea Ferretti | 1 | |
| 13:58, 16 December 2020 | Figure alat 60Ry.png (file) |  |
28 KB | Andrea Ferretti | 1 | |
| 13:58, 16 December 2020 | Figure alat 50Ry.png (file) |  |
28 KB | Andrea Ferretti | 1 | |
| 08:33, 30 April 2021 | Logical structure HPC cluster.png (file) |  |
28 KB | Andrea Ferretti | Logical structure of a HPC cluster. source: https://docs.hpc.qmul.ac.uk/intro/ | 1 |
| 20:42, 8 December 2020 | Data timing.jpg (file) |  |
28 KB | Andrea Ferretti | time vs ecutwfc | 1 |
| 23:04, 18 March 2021 | Combustion reaction of methane.jpg (file) |  |
29 KB | Daniele Varsano | 1 | |
| 13:11, 1 December 2020 | PastedImage0-2.png (file) |  |
30 KB | Daniele Varsano | 1 | |
| 13:57, 16 December 2020 | Figure alat 30Ry.png (file) |  |
30 KB | Andrea Ferretti | 1 | |
| 20:42, 8 December 2020 | Data etot.jpg (file) |  |
31 KB | Andrea Ferretti | Etot vs ecutwfc | 1 |
| 22:59, 18 March 2021 | Oxygen.png (file) |  |
31 KB | Daniele Varsano | 1 | |
| 20:42, 8 December 2020 | Data etot log.jpg (file) |  |
31 KB | Andrea Ferretti | tot vs ecutwfc, log scale | 1 |
| 12:04, 1 April 2021 | Honeycomb.png (file) |  |
32 KB | Daniele Varsano | 1 | |
| 15:25, 16 December 2020 | Bands diamond.jpg (file) |  |
35 KB | Andrea Ferretti | 1 | |
| 17:46, 1 April 2021 | Hbn.png (file) |  |
36 KB | Daniele Varsano | hbn picture | 1 |
| 10:36, 9 December 2020 | Data etot difflatt log.jpg (file) |  |
38 KB | Andrea Ferretti | total energy differences (different lattices) wrt ecutwfc | 1 |
| 22:30, 18 March 2021 | Combustion.png (file) |  |
40 KB | Daniele Varsano | 1 | |
| 13:31, 9 December 2020 | Data etot diffdispl log.jpg (file) |  |
44 KB | Andrea Ferretti | total energy differences vs total energy for displaced structures. | 1 |
| 12:34, 25 November 2020 | Redirect.png (file) |  |
46 KB | Daniele Varsano | 1 | |
| 11:30, 16 December 2020 | Dos diamond.jpg (file) |  |
53 KB | Andrea Ferretti | 1 | |
| 13:16, 26 March 2021 | Guanine HOMO.png (file) |  |
55 KB | Andrea Ferretti | plot of the guanine HOMO | 1 |
| 15:31, 2 December 2020 | Plot conv kpt.jpg (file) |  |
70 KB | Andrea Ferretti | 1 | |
| 14:30, 24 November 2020 | Filesystem.png (file) |  |
83 KB | Daniele Varsano | 1 | |
| 16:37, 1 April 2021 | Kpath.png (file) |  |
86 KB | Daniele Varsano | 1 | |
| 19:05, 18 March 2021 | Molecule imaging.png (file) |  |
88 KB | Andrea Ferretti | 1 | |
| 07:38, 16 December 2020 | Si band structure.png (file) |  |
90 KB | Andrea Ferretti | Silicon band structure. Originals from [https://www.tf.uni-kiel.de/matwis/amat/td_kin_ii/index.html Thermodynamics and Kinetics II, Dr. J. Carstensen, Univ. Kiel | 1 |
| 13:00, 20 November 2020 | Shell.png (file) |  |
91 KB | Daniele Varsano | 1 | |
| 20:39, 18 March 2021 | Snapshot avogadro.png (file) |  |
92 KB | Andrea Ferretti | 1 | |
| 10:47, 20 November 2020 | Bash.png (file) |  |
95 KB | Daniele Varsano | 1 | |
| 10:29, 20 November 2020 | EHJdV6vWwAgcT-b.jpg (file) |  |
114 KB | Daniele Varsano | 1 | |
| 14:13, 25 November 2020 | Screenshot 2020-11-25 at 13.12.18.png (file) |  |
116 KB | Daniele Varsano | 1 | |
| 14:10, 25 November 2020 | Xcrysden.png (file) |  |
117 KB | Daniele Varsano | 1 | |
| 14:29, 25 November 2020 | Avogadro.png (file) |  |
124 KB | Daniele Varsano | 1 | |
| 12:19, 1 April 2021 | Gr unit.png (file) |  |
129 KB | Daniele Varsano | 1 | |
| 18:12, 8 December 2020 | Cartoon scf cycle.png (file) |  |
181 KB | Andrea Ferretti | Cartoon of the logical flow of a self-consistent Kohn-Sham DFT calculation. Figure from M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, ''Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients'', Rev. Mod. Phys. '''64''', 1045 (1992). | 1 |
| 08:35, 30 April 2021 | Structure HPC cluster.png (file) |  |
191 KB | Andrea Ferretti | structure of a HPC cluster. source: https://www.keralauniversity.ac.in/hpc | 1 |
| 00:05, 19 March 2021 | PWL plot.png (file) |  |
198 KB | Andrea Ferretti | 1 | |
| 12:20, 20 November 2020 | Operating system.png (file) |  |
199 KB | Daniele Varsano | 1 | |
| 12:52, 18 March 2021 | Guanine2.png (file) |  |
220 KB | Daniele Varsano | 1 | |
| 17:10, 20 November 2020 | Permission.png (file) |  |
226 KB | Daniele Varsano | 1 | |
| 11:31, 1 April 2021 | Cnt.png (file) |  |
236 KB | Daniele Varsano | 1 | |
| 14:01, 19 November 2020 | 80ac81b37f1021b24ca9125e0d7322d1442baf5b-b-chargetransfer.png (file) |  |
266 KB | Andrea Ferretti | pictorial representation of one of the systems studied in the paper: Spatially Extended Kondo State in Magnetic Molecules Induced by Interfacial Charge Transfer U. G. E. Perera, H. J. Kulik, V. Iancu, L. G. G. V. Dias da Silva, S. E. Ulloa, N. Marzari, and S.-W. Hla Phys. Rev. Lett. 105, 106601 – Published 3 September 2010 | 1 |
| 18:43, 19 November 2020 | 80ac81b37f1021b24ca9125e0d7322d1442baf5b-vert-chargetransfer.png (file) |  |
295 KB | Andrea Ferretti | pictorial representation of one of the systems studied in the paper: Spatially Extended Kondo State in Magnetic Molecules Induced by Interfacial Charge Transfer U. G. E. Perera, H. J. Kulik, V. Iancu, L. G. G. V. Dias da Silva, S. E. Ulloa, N. Marzari, and S.-W. Hla Phys. Rev. Lett. 105, 106601 – Published 3 September 2010 | 1 |
| 13:00, 1 December 2020 | PastedImage0.png (file) |  |
323 KB | Daniele Varsano | 1 | |
| 17:58, 1 April 2021 | Cnt bs.png (file) |  |
329 KB | Daniele Varsano | 1 | |
| 09:17, 30 April 2021 | Summit-ONL.jpg (file) |  |
460 KB | Andrea Ferretti | 1 | |
| 10:38, 1 April 2021 | Graphen.jpg (file) |  |
783 KB | Daniele Varsano | 1 | |
| 19:04, 18 March 2021 | Molecule cartoon.png (file) |  |
861 KB | Andrea Ferretti | 1 |
