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