File list
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 09:52, 18 July 2024 | ENCUT comp.png (file) |  |
59 KB | Csheldon | 7 | |
| 09:55, 18 July 2024 | Pressure energy volume.png (file) |  |
134 KB | Csheldon | 3 | |
| 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 |
| 12:20, 31 July 2024 | Pulay stress grids.png (file) |  |
177 KB | Csheldon | 4 | |
| 12:20, 31 July 2024 | Shape pulay grids.png (file) |  |
93 KB | Csheldon | 3 | |
| 08:26, 15 October 2024 | Transition state pathway.png (file) |  |
206 KB | Csheldon | 4 | |
| 09:14, 15 October 2024 | NEB.png (file) |  |
132 KB | Csheldon | 1 | |
| 12:45, 15 October 2024 | Structure optimization.png (file) |  |
96 KB | Schlipf | 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 |
| 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 |
| 16:06, 17 October 2024 | TIMEEV bulk Si dielectric function py4vasp.png (file) |  |
59 KB | Pmelo | 3 | |
| 08:04, 18 October 2024 | IRC.png (file) |  |
450 KB | Csheldon | IRC plot from Tomas Bucko | 1 |
| 08:05, 18 October 2024 | IDM.png (file) |  |
290 KB | Csheldon | IDM plot from Tomas Bucko | 1 |
| 08:05, 18 October 2024 | Idm single image.png (file) |  |
86 KB | Csheldon | step d IDM plot from Tomas Bucko | 1 |
| 16:05, 30 October 2024 | Metadynamics.png (file) |  |
69 KB | Csheldon | Corrected colour for line 7 | 2 |
| 13:23, 19 December 2024 | Exciton.png (file) |  |
47 KB | Schlipf | 1 | |
| 14:14, 23 January 2025 | Elphon-workflow.pdf (file) | |
63 KB | Mani | Depicts two different workflows for the perturbative electron-phonon code. | 1 |
| 14:28, 23 January 2025 | Elphon-workflow.png (file) |  |
165 KB | Mani | Depicts two different workflows for the perturbative electron-phonon code. | 1 |
| 13:58, 19 February 2025 | Fch xch.png (file) |  |
116 KB | Tal | 1 | |
| 10:54, 21 February 2025 | Bse graph.png (file) |  |
60 KB | Tal | 2 | |
| 14:25, 24 February 2025 | Smearing.png (file) |  |
30 KB | Schlipf | 1 | |
| 16:13, 24 February 2025 | Dos-gauss-tetra.png (file) |  |
58 KB | Schlipf | 2 | |
| 16:51, 26 February 2025 | Quadrupolar efg.png (file) |  |
474 KB | Csheldon | Made centre of N cyan | 3 |
| 08:00, 27 February 2025 | Chemical shielding.png (file) |  |
532 KB | Csheldon | Corrected the current to flow anticlockwise about the N atom | 4 |
| 08:01, 27 February 2025 | Integrated.png (file) |  |
27 KB | Schlipf | 1 | |
| 08:12, 27 February 2025 | Spin energy split new colours.png (file) |  |
38 KB | Csheldon | Changed B to B_ext | 2 |
| 08:25, 27 February 2025 | Hyperfine coupling.png (file) |  |
656 KB | Csheldon | Changed N atom internal to be paler | 4 |
| 08:52, 27 February 2025 | Dft dmft tutorial 2.png (file) |  |
68 KB | Hampel | 1 | |
| 08:53, 27 February 2025 | Dft dmft tutorial 3.png (file) |  |
93 KB | Hampel | 1 | |
| 09:08, 27 February 2025 | Dft dmft tutorial 4.png (file) |  |
49 KB | Hampel | 2 | |
| 10:03, 27 February 2025 | Tetrahedron.png (file) |  |
41 KB | Schlipf | 1 | |
| 11:43, 27 February 2025 | Dft dmft tutorial 1.png (file) |  |
61 KB | Hampel | 2 | |
| 12:45, 27 February 2025 | Dft+d.png (file) |  |
41 KB | Csheldon | Dipole-dipole interactions between atoms (black dots) and quadrupole-dipole interactions (in some cases) | 1 |
| 12:45, 27 February 2025 | Mbd.png (file) |  |
44 KB | Csheldon | Dipole-dipole interactions between atoms (black dots) in many-body dispersions (includes additional 3-, 4-, N-body dipole interaction terms. | 1 |
| 12:46, 27 February 2025 | Non local dft.png (file) |  |
59 KB | Csheldon | Non-local DFT interaction between pairwise dipole fluctuations in the density. | 1 |
| 12:14, 28 February 2025 | EELS bulk Si BSE TDHF Q2 py4vasp.png (file) |  |
24 KB | Pmelo | 2 | |
| 15:16, 28 February 2025 | GaAs zincblende py4vasp 2SC.png (file) |  |
247 KB | Wolloch | 2x2x2 Supercell of bulk zincblende GaAs. Created with py4vasp. | 1 |
| 14:37, 5 March 2025 | EELS bulk Si DFT py4vasp.png (file) |  |
18 KB | Pmelo | 2 | |
| 14:40, 5 March 2025 | EELS bulk Si BSE TDHF Q1 py4vasp.png (file) |  |
24 KB | Pmelo | 2 | |
| 14:52, 5 March 2025 | EELS bulk Si DFT result.png (file) |  |
10 KB | Pmelo | 2 | |
| 14:56, 5 March 2025 | EELS bulk Si BSE TDHF Q1 result.png (file) |  |
13 KB | Pmelo | 3 | |
| 14:57, 5 March 2025 | EELS bulk Si BSE TDHF Q2 result.png (file) |  |
42 KB | Pmelo | 3 | |
| 15:00, 27 March 2025 | SrVO3 U omega acont.png (file) |  |
66 KB | Kaltakm | Effectively screened Coulomb interaction (one-site) of SrVO3 evaluated in minimal Wannier basis using 3 t2g states centered on V. The real-frequency dependence has been obtained from 24 imaginary (compressed) Matsubara points evaluated using the euclidean GW implementation. | 1 |
| 15:17, 27 March 2025 | CRPA of SrVO3.zip (file) |  |
262 KB | Kaltakm | updates related to vasp.6.5.2 | 2 |
| 09:07, 5 May 2025 | Real to reciprocal space.png (file) |  |
683 KB | Csheldon | Change IBZ to BZ | 7 |
| 09:07, 5 May 2025 | Plane wave on grid.png (file) |  |
61 KB | Csheldon | 5 | |
| 09:07, 5 May 2025 | Second kpoint on grid cropped.png (file) |  |
198 KB | Csheldon | 9 | |
| 09:52, 13 May 2025 | PAW pp.png (file) |  |
67 KB | Csheldon | VASP colours of this image: https://www.vasp.at/wiki/index.php/File:Sketch_Pseudopotentials.png Colours inverted to match the colour scheme of: https://www.vasp.at/wiki/index.php/File:Paw.png | 1 |
| 13:27, 13 May 2025 | Paw.png (file) |  |
93 KB | Csheldon | 3 | |
| 12:03, 3 June 2025 | Poscar.png (file) |  |
527 KB | Csheldon | 6 |
