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This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 07:17, 30 April 2021 | Summit-ONL.jpg (file) |  |
460 KB | Andrea Ferretti | 1 | |
| 06:35, 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 |
| 06:33, 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 |
| 16:08, 1 April 2021 | Cnt chirality.jpg (file) |  |
26 KB | Daniele Varsano | 1 | |
| 15:58, 1 April 2021 | Cnt bs.png (file) |  |
329 KB | Daniele Varsano | 1 | |
| 15:46, 1 April 2021 | Hbn.png (file) |  |
36 KB | Daniele Varsano | hbn picture | 1 |
| 14:37, 1 April 2021 | Kpath.png (file) |  |
86 KB | Daniele Varsano | 1 | |
| 12:00, 1 April 2021 | Gr bz.jpg (file) |  |
11 KB | Daniele Varsano | 1 | |
| 10:19, 1 April 2021 | Gr unit.png (file) |  |
129 KB | Daniele Varsano | 1 | |
| 10:04, 1 April 2021 | Honeycomb.png (file) |  |
32 KB | Daniele Varsano | 1 | |
| 09:53, 1 April 2021 | Honeycomb.jpg (file) |  |
21 KB | Daniele Varsano | 1 | |
| 09:31, 1 April 2021 | Cnt.png (file) |  |
236 KB | Daniele Varsano | 1 | |
| 08:38, 1 April 2021 | Graphen.jpg (file) |  |
783 KB | Daniele Varsano | 1 | |
| 08:22, 1 April 2021 | Pdos guanine.png (file) |  |
7 KB | Daniele Varsano | 1 | |
| 11:16, 26 March 2021 | Guanine HOMO.png (file) |  |
55 KB | Andrea Ferretti | plot of the guanine HOMO | 1 |
| 22:05, 18 March 2021 | PWL plot.png (file) |  |
198 KB | Andrea Ferretti | 1 | |
| 21:04, 18 March 2021 | Combustion reaction of methane.jpg (file) |  |
29 KB | Daniele Varsano | 1 | |
| 20:59, 18 March 2021 | Oxygen.png (file) |  |
31 KB | Daniele Varsano | 1 | |
| 20:30, 18 March 2021 | Combustion.png (file) |  |
40 KB | Daniele Varsano | 1 | |
| 18:39, 18 March 2021 | Snapshot avogadro.png (file) |  |
92 KB | Andrea Ferretti | 1 | |
| 17:05, 18 March 2021 | Molecule imaging.png (file) |  |
88 KB | Andrea Ferretti | 1 | |
| 17:04, 18 March 2021 | Molecule cartoon.png (file) |  |
861 KB | Andrea Ferretti | 1 | |
| 15:41, 18 March 2021 | Average v.png (file) |  |
7 KB | Daniele Varsano | 2 | |
| 15:11, 18 March 2021 | Mt.png (file) |  |
12 KB | Daniele Varsano | 2 | |
| 10:52, 18 March 2021 | Guanine2.png (file) |  |
220 KB | Daniele Varsano | 1 | |
| 10:51, 18 March 2021 | Guanine1.png (file) |  |
8 KB | Daniele Varsano | 1 | |
| 13:57, 16 December 2020 | Common-Brillouin-zone-of-diamond-and-zinc-blende-semiconductors Q640.jpg (file) |  |
26 KB | Andrea Ferretti | 1 | |
| 13:25, 16 December 2020 | Bands diamond.jpg (file) |  |
35 KB | Andrea Ferretti | 1 | |
| 11:58, 16 December 2020 | Figure alat 80Ry.png (file) |  |
26 KB | Andrea Ferretti | 1 | |
| 11:58, 16 December 2020 | Figure alat 60Ry.png (file) |  |
28 KB | Andrea Ferretti | 1 | |
| 11:58, 16 December 2020 | Figure alat 50Ry.png (file) |  |
28 KB | Andrea Ferretti | 1 | |
| 11:57, 16 December 2020 | Figure alat 40Ry.png (file) |  |
27 KB | Andrea Ferretti | 1 | |
| 11:57, 16 December 2020 | Figure alat 30Ry.png (file) |  |
30 KB | Andrea Ferretti | 1 | |
| 11:57, 16 December 2020 | Figure alat 20Ry.png (file) |  |
23 KB | Andrea Ferretti | 1 | |
| 09:30, 16 December 2020 | Al conv.png (file) |  |
7 KB | Daniele Varsano | 1 | |
| 09:30, 16 December 2020 | Dos diamond.jpg (file) |  |
53 KB | Andrea Ferretti | 1 | |
| 08:19, 16 December 2020 | Unnamed-4.jpg (file) |  |
19 KB | Daniele Varsano | 1 | |
| 08:19, 16 December 2020 | Unnamed-3.jpg (file) |  |
14 KB | Daniele Varsano | 1 | |
| 05:38, 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 |
| 11:31, 9 December 2020 | Data etot diffdispl log.jpg (file) |  |
44 KB | Andrea Ferretti | total energy differences vs total energy for displaced structures. | 1 |
| 08:36, 9 December 2020 | Data etot difflatt log.jpg (file) |  |
38 KB | Andrea Ferretti | total energy differences (different lattices) wrt ecutwfc | 1 |
| 18:42, 8 December 2020 | Data timing.jpg (file) |  |
28 KB | Andrea Ferretti | time vs ecutwfc | 1 |
| 18:42, 8 December 2020 | Data etot log.jpg (file) |  |
31 KB | Andrea Ferretti | tot vs ecutwfc, log scale | 1 |
| 18:42, 8 December 2020 | Data etot.jpg (file) |  |
31 KB | Andrea Ferretti | Etot vs ecutwfc | 1 |
| 16:12, 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 |
| 13:31, 2 December 2020 | Plot conv kpt.jpg (file) |  |
70 KB | Andrea Ferretti | 1 | |
| 11:58, 2 December 2020 | Diamond scf accuracy.png (file) |  |
5 KB | Daniele Varsano | 1 | |
| 11:58, 2 December 2020 | Diamond etot.png (file) |  |
5 KB | Daniele Varsano | 1 | |
| 11:11, 1 December 2020 | PastedImage0-2.png (file) |  |
30 KB | Daniele Varsano | 1 | |
| 11:00, 1 December 2020 | PastedImage0.png (file) |  |
323 KB | Daniele Varsano | 1 |
