User contributions for Svijay

7 February 2024

• 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
• 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 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