Uploads by Csheldon
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 12:46, 27 February 2025 | Non local dft.png (file) |  |
59 KB | Non-local DFT interaction between pairwise dipole fluctuations in the density. | 1 |
| 12:45, 27 February 2025 | Mbd.png (file) |  |
44 KB | Dipole-dipole interactions between atoms (black dots) in many-body dispersions (includes additional 3-, 4-, N-body dipole interaction terms. | 1 |
| 12:45, 27 February 2025 | Dft+d.png (file) |  |
41 KB | Dipole-dipole interactions between atoms (black dots) and quadrupole-dipole interactions (in some cases) | 1 |
| 08:25, 27 February 2025 | Hyperfine coupling.png (file) |  |
656 KB | Changed N atom internal to be paler | 4 |
| 08:12, 27 February 2025 | Spin energy split new colours.png (file) |  |
38 KB | Changed B to B_ext | 2 |
| 08:00, 27 February 2025 | Chemical shielding.png (file) |  |
532 KB | Corrected the current to flow anticlockwise about the N atom | 4 |
| 16:51, 26 February 2025 | Quadrupolar efg.png (file) |  |
474 KB | Made centre of N cyan | 3 |
| 16:05, 30 October 2024 | Metadynamics.png (file) |  |
69 KB | Corrected colour for line 7 | 2 |
| 08:05, 18 October 2024 | Idm single image.png (file) |  |
86 KB | step d IDM plot from Tomas Bucko | 1 |
| 08:05, 18 October 2024 | IDM.png (file) |  |
290 KB | IDM plot from Tomas Bucko | 1 |
| 08:04, 18 October 2024 | IRC.png (file) |  |
450 KB | IRC plot from Tomas Bucko | 1 |
| 09:14, 15 October 2024 | NEB.png (file) |  |
132 KB | 1 | |
| 08:26, 15 October 2024 | Transition state pathway.png (file) |  |
206 KB | 4 | |
| 12:20, 31 July 2024 | Shape pulay grids.png (file) |  |
93 KB | 3 | |
| 12:20, 31 July 2024 | Pulay stress grids.png (file) |  |
177 KB | 4 | |
| 15:56, 25 July 2024 | Pulay Stress Grids.jpg (file) |  |
92 KB | Illustration of volume change on grids, plane wave cutoff, and number of plane waves. | 1 |
| 09:55, 18 July 2024 | Pressure energy volume.png (file) |  |
134 KB | 3 | |
| 09:52, 18 July 2024 | ENCUT comp.png (file) |  |
59 KB | 7 | |
| 09:52, 18 July 2024 | Kpoint comp.png (file) |  |
60 KB | 8 |
