User contributions for Svijay

9 February 2024

• 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 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