Uploads by Svijay
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:08, 17 October 2023 | Workfunction potentials.png (file) |  |
120 KB | Schematic that illustrates the potentials as they vary along the surface normal for a calculation where the workfunction is to be determined. | 1 |
| 09:46, 18 October 2023 | Nelect charged systems.png (file) |  |
120 KB | Results from example calculations illustrating the change in energy as the cell dimension is changed with setting the NELECT tag. | 1 |
| 14:30, 8 February 2024 | Example neb negative energies.png (file) |  |
68 KB | An example of an NEB calculation gone "wrong". | 1 |
