File list
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 15:03, 23 February 2024 | AlN-phonons-LR-comparison.png (file) |  |
99 KB | Mani | Phonon dispersion relation of AlN (wurtzite) comparing calculations with and without long-range dipole corrections. | 1 |
| 15:03, 23 February 2024 | MgO-phonons-LR-comparison.png (file) |  |
92 KB | Mani | Phonon dispersion relation of MgO comparing calculations with and without long-range corrections. | 1 |
| 10:06, 9 February 2024 | Scdm-bands-c-4.png (file) |  |
47 KB | Mani | remove excessive padding | 3 |
| 09:57, 9 February 2024 | Locproj-c-4.png (file) |  |
49 KB | Mani | Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using LOCPROJ against ab-initio data. | 1 |
| 14:30, 8 February 2024 | Example neb negative energies.png (file) |  |
68 KB | Svijay | An example of an NEB calculation gone "wrong". | 1 |
| 13:57, 8 February 2024 | Scdm-bands-lif-disentangle.png (file) |  |
52 KB | Mani | Better legend placement | 3 |
| 11:07, 8 February 2024 | Scdm-bands-c-4.pdf (file) |  |
32 KB | Mani | Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using SCDM against ab-initio data. | 1 |
| 22:16, 7 February 2024 | Pareto Azobenzene.png (file) |  |
49 KB | Karsai | 1 | |
| 21:56, 7 February 2024 | Pareto Ethanol.png (file) |  |
50 KB | Karsai | 1 | |
| 15:01, 29 January 2024 | HBN exciton.png (file) |  |
367 KB | Tal | Charge-density of the first bright exciton in hBN. | 1 |
| 16:03, 30 November 2023 | IrcExample1.png (file) |  |
8 KB | Tbucko | an IRC profile generated in a practical example | 1 |
| 15:39, 30 November 2023 | GenerateMLFF.zip (file) |  |
364 KB | Tbucko | 1 | |
| 08:02, 29 November 2023 | New wiki logo scaled.png (file) |  |
6 KB | Ces | This is a test upload after the update to MW 1.40 | 1 |
| 17:31, 13 November 2023 | SCC.png (file) |  |
180 KB | Vaspmaster | 2 | |
| 09:46, 18 October 2023 | Nelect charged systems.png (file) |  |
120 KB | Svijay | Results from example calculations illustrating the change in energy as the cell dimension is changed with setting the NELECT tag. | 1 |
| 14:08, 17 October 2023 | Workfunction potentials.png (file) |  |
120 KB | Svijay | Schematic that illustrates the potentials as they vary along the surface normal for a calculation where the workfunction is to be determined. | 1 |
| 11:44, 17 October 2023 | Bandgap.png (file) |  |
78 KB | Schlipf | Illustrates how the relative position of two bands changes a system from a semiconductor to a metal. | 1 |
| 11:39, 17 October 2023 | Bandgap.pdf (file) | |
7 KB | Schlipf | Illustrates how the relative position of two bands changes a system from a semiconductor to a metal. | 1 |
| 10:30, 12 October 2023 | Sketch Pseudopotentials.png (file) |  |
42 KB | Wolloch | A Sketch taken from Wikipedia (https://de.wikipedia.org/wiki/Pseudopotential) which illustrates the basic concept of a pseudopotential. | 1 |
| 09:46, 21 September 2023 | Spinor-space-example-saxis.png (file) |  |
143 KB | Huebsch | 1 | |
| 09:28, 21 September 2023 | Saxis-angles.png (file) |  |
97 KB | Huebsch | 1 | |
| 07:24, 21 September 2023 | SinglesDiagrams.png (file) |  |
26 KB | Kaltakm | Feynman Diagrams of Singles contribution to the correlation energy. | 1 |
| 11:41, 6 April 2023 | Bias potentials.png (file) |  |
9 KB | Tbucko | 1 | |
| 12:10, 1 February 2023 | Si HSE band.tgz (file) | |
74 KB | Ftran | 2 | |
| 10:40, 27 July 2022 | ERR BEEF CTIFOR vs MD step.png (file) |  |
9 KB | Karsai | 1 | |
| 07:55, 26 July 2022 | Bad process binding.png (file) |  |
52 KB | Schlipf | 1 | |
| 07:55, 26 July 2022 | Good process binding.png (file) |  |
66 KB | Schlipf | 1 | |
| 07:41, 26 July 2022 | Communication2.png (file) |  |
120 KB | Schlipf | 1 | |
| 07:40, 26 July 2022 | Communication.png (file) |  |
120 KB | Schlipf | 2 | |
| 15:59, 20 July 2022 | Bsefatband.png (file) |  |
77 KB | Tal | 1 | |
| 15:49, 20 July 2022 | Bsefatband.pdf (file) | |
66 KB | Tal | 1 | |
| 16:02, 7 April 2022 | Crpa method comparison.png (file) |  |
107 KB | Kaltakm | disentanglement (blue), projector (red) and weighted (green) cRPA Hubbard-Kanamori interaction U | 1 |
| 07:48, 7 April 2022 | Ni d bands decoupled.png (file) |  |
88 KB | Kaltakm | Disentangled d states (red) of fcc Ni | 1 |
| 07:38, 7 April 2022 | Ni d s bands.png (file) |  |
99 KB | Kaltakm | d (red) and s (blue) bands of fcc Ni around the Fermi energy | 1 |
| 07:19, 7 April 2022 | SrVO3 t2g bands.png (file) |  |
88 KB | Kaltakm | t2g states of SrVO3 form an isolated set of bands (red). | 1 |
| 08:56, 19 October 2021 | Logo.png (file) |  |
26 KB | Ces | The new VASP logo | 1 |
| 07:24, 1 September 2021 | MLFF Liquid Si tutorial.tgz (file) | |
32 KB | Karsai | 1 | |
| 08:42, 19 July 2021 | XANES Diamond.tgz (file) | |
510 KB | Karsai | 1 | |
| 03:54, 29 March 2021 | Color palette.png (file) |  |
32 KB | Huebsch | 2 | |
| 13:24, 7 September 2020 | EPC cd-C.tgz (file) | |
194 KB | Karsai | 1 | |
| 08:18, 3 September 2020 | Temperature dependence of cd-C 4x4x4 vol.jpg (file) |  |
44 KB | Karsai | 1 | |
| 15:36, 2 September 2020 | Temperature dependence of cd-C 4x4x4.jpg (file) |  |
40 KB | Karsai | 1 | |
| 09:21, 20 August 2020 | 40px-Ambox important.png (file) |  |
2 KB | Miranda.henrique | 1 | |
| 04:51, 24 June 2020 | VASP lecture BSE.pdf (file) | |
4.16 MB | Miranda.henrique | Fix on slide 8 where the k-point weight was included in the oscillator. The weight only appears in the absorption formula. | 2 |
| 15:01, 14 November 2019 | Nio constr.tgz (file) | |
162 KB | Karsai | 1 | |
| 14:38, 14 November 2019 | VASP lecture RPA.pdf (file) | |
8.1 MB | Karsai | 1 | |
| 14:36, 14 November 2019 | VASP lecture Basics2.pdf (file) | |
1.34 MB | Karsai | 1 | |
| 14:32, 14 November 2019 | VASP lecture NMR.pdf (file) | |
2.88 MB | Karsai | 1 | |
| 14:31, 14 November 2019 | VASP lecture HPC.pdf (file) | |
5.38 MB | Karsai | 1 | |
| 14:29, 14 November 2019 | VASP lecture Basics3.pdf (file) | |
789 KB | Karsai | 1 |
