File list
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 16:05, 30 October 2024 | Metadynamics.png (file) |  |
69 KB | Csheldon | Corrected colour for line 7 | 2 |
| 08:05, 18 October 2024 | Idm single image.png (file) |  |
86 KB | Csheldon | step d IDM plot from Tomas Bucko | 1 |
| 08:05, 18 October 2024 | IDM.png (file) |  |
290 KB | Csheldon | IDM plot from Tomas Bucko | 1 |
| 08:04, 18 October 2024 | IRC.png (file) |  |
450 KB | Csheldon | IRC plot from Tomas Bucko | 1 |
| 16:06, 17 October 2024 | TIMEEV bulk Si dielectric function py4vasp.png (file) |  |
59 KB | Pmelo | 3 | |
| 14:24, 16 October 2024 | TIMEEV bulk Si dielectric function.png (file) |  |
85 KB | Pmelo | Shows the imaginary part of the dielectric function of bulk Si from the example used in the Time-evolution page. | 1 |
| 14:18, 16 October 2024 | TIMEEV bulk Si dielectric function.pdf (file) |  |
27 KB | Pmelo | Shows the imaginary part of the dielectric function of bulk Si from the example used in the Time-evolution page. | 1 |
| 12:45, 15 October 2024 | Structure optimization.png (file) |  |
96 KB | Schlipf | 1 | |
| 09:14, 15 October 2024 | NEB.png (file) |  |
132 KB | Csheldon | 1 | |
| 08:26, 15 October 2024 | Transition state pathway.png (file) |  |
206 KB | Csheldon | 4 | |
| 12:20, 31 July 2024 | Shape pulay grids.png (file) |  |
93 KB | Csheldon | 3 | |
| 12:20, 31 July 2024 | Pulay stress grids.png (file) |  |
177 KB | Csheldon | 4 | |
| 15:56, 25 July 2024 | Pulay Stress Grids.jpg (file) |  |
92 KB | Csheldon | 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 | Csheldon | 3 | |
| 09:52, 18 July 2024 | ENCUT comp.png (file) |  |
59 KB | Csheldon | 7 | |
| 09:52, 18 July 2024 | Kpoint comp.png (file) |  |
60 KB | Csheldon | 8 | |
| 11:38, 12 July 2024 | Sloshing1.png (file) |  |
335 KB | Vaspmaster | 1 | |
| 13:54, 13 June 2024 | STM Graphite exp sim.png (file) |  |
129 KB | Wolloch | A combination of an experimental (left) STM image of Graphene, and a simulated one (using py4vasp). The experimental image was measured at ambient conditions (at room temperature, and in air), at the Department for Earth and Environmental Sciences, LMU, and Center for NanoScience (CeNS), Munich. The picture is in the public domain and was taken from Wiki Commons: https://commons.wikimedia.org/wiki/File:Graphite_ambient_STM.jpg The simulated image was produced by Michael Wolloch on June 13th... | 1 |
| 13:16, 13 June 2024 | Work function.png (file) |  |
63 KB | Schlipf | Average potential perpendicular to the surface of the system | 1 |
| 10:35, 13 June 2024 | Band.jpg (file) |  |
817 KB | Schlipf | Band structure plot of energy eigenvalues of orbitals | 1 |
| 08:56, 13 June 2024 | CRPA of SrVO3.zip (file) |  |
262 KB | Kaltakm | Update CRPA tutorial of SrVO3 for vasp-6.4.3 and newer. | 1 |
| 12:59, 12 June 2024 | FMP method convergence.png (file) |  |
23 KB | Jona | The graphic shows the convergence of lambda with progressing simulation time. Improvement of the first uploaded graphic | 1 |
| 10:50, 12 June 2024 | SrVO3 GW band.zip (file) | |
530 KB | Kaltakm | fix currupted file | 2 |
| 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 |
