File list

This special page shows all uploaded files.

File list
First pagePrevious pageNext pageLast page
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
First pagePrevious pageNext pageLast page