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