User contributions for Svijay
9 February 2024
- 14:0714:07, 9 February 2024 diff hist −2 Practical considerations for transition state finding calculations →References current Tag: Manual revert
- 14:0714:07, 9 February 2024 diff hist +2 Practical considerations for transition state finding calculations No edit summary
- 14:0714:07, 9 February 2024 diff hist −5 Practical considerations for transition state finding calculations No edit summary
- 14:0714:07, 9 February 2024 diff hist +35 Practical considerations for transition state finding calculations No edit summary
- 14:0314:03, 9 February 2024 diff hist +80 N Construction:Practical considerations for transition state finding calculations Svijay moved page Construction:Practical considerations for transition state finding calculations to Practical considerations for transition state finding calculations current Tag: New redirect
- 14:0314:03, 9 February 2024 diff hist 0 m Practical considerations for transition state finding calculations Svijay moved page Construction:Practical considerations for transition state finding calculations to Practical considerations for transition state finding calculations
- 14:0214:02, 9 February 2024 diff hist −27 Practical considerations for transition state finding calculations No edit summary
- 14:0214:02, 9 February 2024 diff hist +47 Practical considerations for transition state finding calculations No edit summary
- 09:2409:24, 9 February 2024 diff hist +1 LVACPOTAV No edit summary current
- 09:2409:24, 9 February 2024 diff hist +71 LVACPOTAV No edit summary
8 February 2024
- 14:4714:47, 8 February 2024 diff hist +32 Practical considerations for transition state finding calculations No edit summary
- 14:4614:46, 8 February 2024 diff hist +27 Practical considerations for transition state finding calculations No edit summary
- 14:4614:46, 8 February 2024 diff hist +54 Practical considerations for transition state finding calculations No edit summary
- 14:3914:39, 8 February 2024 diff hist +1 Practical considerations for transition state finding calculations →Related articles
- 14:3914:39, 8 February 2024 diff hist 0 Practical considerations for transition state finding calculations →Related articles
- 14:3814:38, 8 February 2024 diff hist +91 Practical considerations for transition state finding calculations No edit summary
- 14:3514:35, 8 February 2024 diff hist +94 Practical considerations for transition state finding calculations →Band becomes "floppy"
- 14:3414:34, 8 February 2024 diff hist +151 Practical considerations for transition state finding calculations →Restart with a better guess for the initial and final state configurations
- 14:3214:32, 8 February 2024 diff hist +175 Practical considerations for transition state finding calculations →Restart with a better guess for the initial and final state configurations
- 14:3014:30, 8 February 2024 diff hist +60 N File:Example neb negative energies.png An example of an NEB calculation gone "wrong". current
- 14:2714:27, 8 February 2024 diff hist +129 Practical considerations for transition state finding calculations →Band becomes "floppy"
- 14:2514:25, 8 February 2024 diff hist +295 Practical considerations for transition state finding calculations →Restart with a better guess for the initial and final state configurations
7 February 2024
- 16:5116:51, 7 February 2024 diff hist 0 Practical considerations for transition state finding calculations →IRC Calculations
- 16:5116:51, 7 February 2024 diff hist 0 Practical considerations for transition state finding calculations →NEB Calculations
- 16:5016:50, 7 February 2024 diff hist +93 N Construction:Practical Considerations for Transition State Calculations Svijay moved page Construction:Practical Considerations for Transition State Calculations to Construction:Practical considerations for transition state finding calculations current Tag: New redirect
- 16:5016:50, 7 February 2024 diff hist 0 m Practical considerations for transition state finding calculations Svijay moved page Construction:Practical Considerations for Transition State Calculations to Construction:Practical considerations for transition state finding calculations
- 16:5016:50, 7 February 2024 diff hist −1 Practical considerations for transition state finding calculations No edit summary
- 16:4916:49, 7 February 2024 diff hist +26 Practical considerations for transition state finding calculations No edit summary
- 16:4716:47, 7 February 2024 diff hist −9 m Practical considerations for transition state finding calculations No edit summary
- 13:4113:41, 7 February 2024 diff hist 0 m Computing the work function No edit summary current Tag: Visual edit
- 13:3513:35, 7 February 2024 diff hist −25 Practical considerations for transition state finding calculations →NEB Calculations
- 13:3513:35, 7 February 2024 diff hist 0 Practical considerations for transition state finding calculations →IRC Calculations
- 13:3413:34, 7 February 2024 diff hist −1 Practical considerations for transition state finding calculations →NEB Calculations
- 13:3313:33, 7 February 2024 diff hist +15 Practical considerations for transition state finding calculations →Restart with a better guess for the initial and final state configurations
- 13:3213:32, 7 February 2024 diff hist +9 Practical considerations for transition state finding calculations No edit summary
- 13:3113:31, 7 February 2024 diff hist −1 Practical considerations for transition state finding calculations →Restart with a better guess for the initial and final state configurations
- 13:3113:31, 7 February 2024 diff hist +45 Practical considerations for transition state finding calculations No edit summary
- 13:3013:30, 7 February 2024 diff hist +368 Practical considerations for transition state finding calculations →IRC Calculations
- 13:2413:24, 7 February 2024 diff hist +43 Practical considerations for transition state finding calculations No edit summary
- 13:2313:23, 7 February 2024 diff hist 0 Practical considerations for transition state finding calculations →NEB calculations
- 13:2313:23, 7 February 2024 diff hist +24 Practical considerations for transition state finding calculations No edit summary
- 13:2213:22, 7 February 2024 diff hist −31 Practical considerations for transition state finding calculations →Checking convergence
- 13:1713:17, 7 February 2024 diff hist −25 Practical considerations for transition state finding calculations →Band becomes "floppy"
- 13:1713:17, 7 February 2024 diff hist +362 Practical considerations for transition state finding calculations →NEB calculations
- 13:1213:12, 7 February 2024 diff hist +259 Practical considerations for transition state finding calculations →Band does not converge
- 13:0713:07, 7 February 2024 diff hist −1 Practical considerations for transition state finding calculations →Band does not converge
- 13:0713:07, 7 February 2024 diff hist +429 Practical considerations for transition state finding calculations →NEB calculations
- 13:0213:02, 7 February 2024 diff hist +1 Practical considerations for transition state finding calculations →Band becomes "floppy"
- 13:0213:02, 7 February 2024 diff hist +95 Practical considerations for transition state finding calculations →Band becomes "floppy"
- 12:5912:59, 7 February 2024 diff hist +353 Practical considerations for transition state finding calculations →Restart with a better guess for the initial and final state configurations
- 12:5112:51, 7 February 2024 diff hist +774 Practical considerations for transition state finding calculations →Restart with a better guess for the initial and final state configurations
- 11:1011:10, 7 February 2024 diff hist +109 Practical considerations for transition state finding calculations No edit summary
- 11:0811:08, 7 February 2024 diff hist +122 N Practical considerations for transition state finding calculations Created page with "This page details a few practical considerations for obtaining accurate and reliable transition state energies using VASP."
- 10:0110:01, 7 February 2024 diff hist +13 m WRT POTENTIAL No edit summary
- 08:1408:14, 7 February 2024 diff hist +198 Computing the work function →Step-by-step instructions Tag: Visual edit: Switched
- 08:0508:05, 7 February 2024 diff hist +340 WRT POTENTIAL Add a disclaimer about the the choice of g=0 components Tag: Visual edit: Switched
6 February 2024
- 16:4016:40, 6 February 2024 diff hist −7 LVACPOTAV No edit summary Tag: Visual edit: Switched
- 16:3516:35, 6 February 2024 diff hist +1 m VACPOTFLAT No edit summary Tag: Visual edit
5 February 2024
- 10:4010:40, 5 February 2024 diff hist +5 LVACPOTAV No edit summary
- 10:4010:40, 5 February 2024 diff hist +5 VACPOTFLAT No edit summary
- 10:0510:05, 5 February 2024 diff hist +103 VACPOTFLAT No edit summary Tag: Visual edit
- 09:5909:59, 5 February 2024 diff hist +1 Computing the work function No edit summary Tag: Visual edit
- 09:5809:58, 5 February 2024 diff hist +5 LVACPOTAV Change to LVACPOTAV Tag: Visual edit
- 09:5709:57, 5 February 2024 diff hist 0 m LVACPOTAV Svijay moved page VACPOTAV to LVACPOTAV: Change in tag name
- 09:4909:49, 5 February 2024 diff hist +202 LVACPOTAV No edit summary Tag: Visual edit: Switched
- 09:3909:39, 5 February 2024 diff hist −1 LVACPOTAV No edit summary Tag: Visual edit: Switched
- 09:3809:38, 5 February 2024 diff hist −1,776 LVACPOTAV →Vacuum region is likely too small: Remove large WARNING! Tag: Visual edit
- 09:3709:37, 5 February 2024 diff hist +18 LVACPOTAV No edit summary Tag: Visual edit: Switched
- 09:3609:36, 5 February 2024 diff hist +104 LVACPOTAV Add description Tag: Visual edit
- 08:5608:56, 5 February 2024 diff hist +32 Category:Electrostatics No edit summary current Tag: Visual edit
- 08:5508:55, 5 February 2024 diff hist +410 Category:Electrostatics No edit summary Tag: Visual edit
- 08:5008:50, 5 February 2024 diff hist +11 m Computing the work function →Step-by-step instructions Tag: Visual edit
- 08:4708:47, 5 February 2024 diff hist −1 VACPOTFLAT No edit summary Tag: Visual edit
- 08:4508:45, 5 February 2024 diff hist +148 VACPOTFLAT No edit summary
- 08:4408:44, 5 February 2024 diff hist +534 N 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
- 08:3608:36, 5 February 2024 diff hist +6 LVACPOTAV →Related tags and articles
- 08:3608:36, 5 February 2024 diff hist −41 LVACPOTAV →Related tags and articles Tag: Visual edit
- 08:3508:35, 5 February 2024 diff hist +134 LVACPOTAV No edit summary
- 08:3308:33, 5 February 2024 diff hist +51 LVACPOTAV No edit summary
- 08:3208:32, 5 February 2024 diff hist +1 LVACPOTAV No edit summary Tag: Visual edit
- 08:3108:31, 5 February 2024 diff hist +91 LVACPOTAV No edit summary
- 08:2508:25, 5 February 2024 diff hist +327 LVACPOTAV No edit summary Tag: Visual edit
- 08:2208:22, 5 February 2024 diff hist +157 LVACPOTAV No edit summary Tag: Visual edit
- 08:2008:20, 5 February 2024 diff hist 0 LVACPOTAV No edit summary Tag: Visual edit: Switched
- 08:1908:19, 5 February 2024 diff hist +398 LVACPOTAV No edit summary
- 08:1608:16, 5 February 2024 diff hist +238 LVACPOTAV No edit summary Tag: Visual edit: Switched
- 08:1208:12, 5 February 2024 diff hist +2,951 LVACPOTAV Warnings Tag: Visual edit
- 07:5807:58, 5 February 2024 diff hist +352 LVACPOTAV Introduce version.
- 07:5407:54, 5 February 2024 diff hist +73 LVACPOTAV Defaults for VACPOTAV Tag: Visual edit
- 07:4707:47, 5 February 2024 diff hist +722 N LVACPOTAV Introduce VACPOTAV Tag: Visual edit
- 07:3607:36, 5 February 2024 diff hist −8 Computing the work function →Step-by-step instructions: Introduce VACPOTAV
20 October 2023
- 09:3009:30, 20 October 2023 diff hist +29 Computing the work function No edit summary
- 09:2909:29, 20 October 2023 diff hist +27 Dipole corrections for defects in solids No edit summary current
- 09:2809:28, 20 October 2023 diff hist +1 m Category:Electrostatics No edit summary
- 09:2809:28, 20 October 2023 diff hist +1 m Category:Electrostatics No edit summary
- 09:2709:27, 20 October 2023 diff hist +375 Category:Electrostatics No edit summary
- 09:1909:19, 20 October 2023 diff hist 0 Category:Electrostatics →How to
- 09:1809:18, 20 October 2023 diff hist +40 N Computing the workfunction Svijay moved page Computing the workfunction to Computing the Workfunction current Tag: New redirect
- 09:1809:18, 20 October 2023 diff hist 0 m Computing the work function Svijay moved page Computing the workfunction to Computing the Workfunction
- 09:1809:18, 20 October 2023 diff hist −1 Category:Electrostatics →How to