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- 14:03, 9 February 2024 Svijay talk contribs moved page Construction:Practical considerations for transition state finding calculations to Practical considerations for transition state finding calculations
- 14:30, 8 February 2024 Svijay talk contribs created page File:Example neb negative energies.png (An example of an NEB calculation gone "wrong".)
- 14:30, 8 February 2024 Svijay talk contribs uploaded File:Example neb negative energies.png (An example of an NEB calculation gone "wrong".)
- 16:50, 7 February 2024 Svijay talk contribs moved page Construction:Practical Considerations for Transition State Calculations to Construction:Practical considerations for transition state finding calculations
- 11:08, 7 February 2024 Svijay talk contribs created page Construction:Practical Considerations for Transition State Calculations (Created page with "This page details a few practical considerations for obtaining accurate and reliable transition state energies using VASP.")
- 09:57, 5 February 2024 Svijay talk contribs moved page VACPOTAV to LVACPOTAV (Change in tag name)
- 08:44, 5 February 2024 Svijay talk contribs created page VACPOTFLAT (Created page with "'''VACPOTFLAT''' = [real] Default: '''VACPOTFLAT''' = 0.1 V/Å If the 2D-averaged electric field in a region of space determined by VACPOTAV is smaller than '''VACPOTFLAT''' the region is considered to be field free. {{NB|tip| Increase '''VACPOTFLAT''' in case you need a quick estimation of the vacuum potential and decrease it in case you need a precise value. Note that if you have a large enough cell and a small enough {{TAG|EDIFF}} how small '''VACPOTAV''' shoul...") Tag: Visual edit: Switched
- 07:47, 5 February 2024 Svijay talk contribs created page VACPOTAV (Introduce VACPOTAV) Tag: Visual edit
- 09:18, 20 October 2023 Svijay talk contribs moved page Computing the workfunction to Computing the Workfunction
- 09:17, 20 October 2023 Svijay talk contribs moved page Construction:Computing the workfunction to Computing the workfunction
- 03:32, 20 October 2023 Svijay talk contribs moved page Talk:Monopole Dipole and Quadrupole corrections to Talk:Monopole Dipole and Quadrupole Corrections
- 03:32, 20 October 2023 Svijay talk contribs moved page Monopole Dipole and Quadrupole corrections to Monopole Dipole and Quadrupole Corrections
- 13:17, 19 October 2023 Svijay talk contribs moved page Construction:Electrostatics to Category:Electrostatics
- 14:10, 18 October 2023 Svijay talk contribs moved page Electrostatics to Construction:Electrostatics
- 13:11, 18 October 2023 Svijay talk contribs created page Electrostatics (Created page with "== How to == Practical guide to electrostatic corrections implemented in VASP * Monopole, Dipole and Quadrupole corrections * [...")
- 09:46, 18 October 2023 Svijay talk contribs created page File:Nelect charged systems.png (Results from example calculations illustrating the change in energy as the cell dimension is changed with setting the NELECT tag.)
- 09:46, 18 October 2023 Svijay talk contribs uploaded File:Nelect charged systems.png (Results from example calculations illustrating the change in energy as the cell dimension is changed with setting the NELECT tag.)
- 07:57, 18 October 2023 Svijay talk contribs moved page Construction:Computing-the-workfunction to Construction:Computing the workfunction
- 07:55, 18 October 2023 Svijay talk contribs created page Construction:Category:Electrostatics (Created page with "TODO")
- 14:08, 17 October 2023 Svijay talk contribs created page File:Workfunction potentials.png (Schematic that illustrates the potentials as they vary along the surface normal for a calculation where the workfunction is to be determined.)
- 14:08, 17 October 2023 Svijay talk contribs uploaded File:Workfunction potentials.png (Schematic that illustrates the potentials as they vary along the surface normal for a calculation where the workfunction is to be determined.)
- 13:39, 17 October 2023 Svijay talk contribs created page Construction:Computing-the-workfunction (Created page with "The workfunction is defined as the work needed to move an electron from a surface to a point in vacuum sufficiently far away from this surface. It is a central quantity in sur...")