User contributions for Svijay

7 February 2024

• 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
• 09:1809:18, 20 October 2023 diff hist +62‎ Category:Electrostatics ‎ →‎How to
• 09:1709:17, 20 October 2023 diff hist +40‎ N Construction:Computing the workfunction ‎ Svijay moved page Construction:Computing the workfunction to Computing the workfunction current Tag: New redirect
• 09:1709:17, 20 October 2023 diff hist 0‎ m Computing the work function ‎ Svijay moved page Construction:Computing the workfunction to Computing the workfunction
• 09:1609:16, 20 October 2023 diff hist −1‎ m Computing the work function ‎No edit summary
• 09:1509:15, 20 October 2023 diff hist +9‎ m Computing the work function ‎No edit summary
• 09:1309:13, 20 October 2023 diff hist 0‎ Category:Electrostatics ‎ →‎How to
• 09:1209:12, 20 October 2023 diff hist −28‎ EPSILON ‎No edit summary current
• 09:1209:12, 20 October 2023 diff hist −28‎ LDIPOL ‎No edit summary
• 09:1109:11, 20 October 2023 diff hist −28‎ LMONO ‎No edit summary current
• 09:1109:11, 20 October 2023 diff hist −28‎ IDIPOL ‎No edit summary current
• 09:1009:10, 20 October 2023 diff hist +27‎ m Monopole Dipole and Quadrupole Corrections ‎No edit summary
• 09:0609:06, 20 October 2023 diff hist −35‎ m NELECT ‎No edit summary current
• 03:3203:32, 20 October 2023 diff hist 0‎ m Category:Electrostatics ‎ →‎How to
• 03:3203:32, 20 October 2023 diff hist +61‎ N Talk:Monopole Dipole and Quadrupole corrections ‎ Svijay moved page Talk:Monopole Dipole and Quadrupole corrections to Talk:Monopole Dipole and Quadrupole Corrections current Tag: New redirect
• 03:3203:32, 20 October 2023 diff hist 0‎ m Talk:Monopole Dipole and Quadrupole Corrections ‎ Svijay moved page Talk:Monopole Dipole and Quadrupole corrections to Talk:Monopole Dipole and Quadrupole Corrections current
• 03:3203:32, 20 October 2023 diff hist +56‎ N Monopole Dipole and Quadrupole corrections ‎ Svijay moved page Monopole Dipole and Quadrupole corrections to Monopole Dipole and Quadrupole Corrections current Tag: New redirect
• 03:3203:32, 20 October 2023 diff hist 0‎ m Monopole Dipole and Quadrupole Corrections ‎ Svijay moved page Monopole Dipole and Quadrupole corrections to Monopole Dipole and Quadrupole Corrections

19 October 2023

• 15:3015:30, 19 October 2023 diff hist −4‎ m IMAGES ‎No edit summary
• 13:4913:49, 19 October 2023 diff hist −36‎ m Monopole Dipole and Quadrupole Corrections ‎No edit summary
• 13:4713:47, 19 October 2023 diff hist +1,728‎ Monopole Dipole and Quadrupole Corrections ‎ Added example for the dipole moment
• 13:1813:18, 19 October 2023 diff hist +45‎ m The VASP Manual ‎ →‎Featured topics: Added electrostatics to ground state properties page
• 13:1713:17, 19 October 2023 diff hist 0‎ m Category:Electrostatics ‎ Svijay moved page Construction:Electrostatics to Category:Electrostatics
• 13:1613:16, 19 October 2023 diff hist +183‎ m Category:Electrostatics ‎No edit summary
• 12:5512:55, 19 October 2023 diff hist −2‎ m Monopole Dipole and Quadrupole Corrections ‎No edit summary
• 12:5312:53, 19 October 2023 diff hist −1,282‎ m Monopole Dipole and Quadrupole Corrections ‎ Move table to category page
• 12:5312:53, 19 October 2023 diff hist +1,285‎ m Category:Electrostatics ‎ Move table from contents page to this page
• 11:4711:47, 19 October 2023 diff hist −9‎ NELECT ‎No edit summary
• 11:4611:46, 19 October 2023 diff hist 0‎ IDIPOL ‎No edit summary
• 11:4611:46, 19 October 2023 diff hist +1‎ m IDIPOL ‎No edit summary
• 10:0010:00, 19 October 2023 diff hist −43‎ m Monopole Dipole and Quadrupole Corrections ‎ →‎Molecules
• 09:4209:42, 19 October 2023 diff hist −17‎ Monopole Dipole and Quadrupole Corrections ‎ →‎Suggested combination of tags for electrostatic corrections
• 09:4109:41, 19 October 2023 diff hist −819‎ NELECT ‎ Remove image
• 09:3609:36, 19 October 2023 diff hist +1,532‎ Monopole Dipole and Quadrupole Corrections ‎ Refactor once again - changes to table
• 09:3409:34, 19 October 2023 diff hist +11‎ LDIPOL ‎ Move tips to the corrections page
• 09:1509:15, 19 October 2023 diff hist −1,155‎ Monopole Dipole and Quadrupole Corrections ‎ →‎Summary of relevant INCAR tags
• 07:0507:05, 19 October 2023 diff hist −9‎ NELECT ‎No edit summary

18 October 2023

• 14:1714:17, 18 October 2023 diff hist −2‎ m Monopole Dipole and Quadrupole Corrections ‎No edit summary
• 14:1514:15, 18 October 2023 diff hist −3‎ m Computing the work function ‎No edit summary
• 14:1014:10, 18 October 2023 diff hist +41‎ N Electrostatics ‎ Svijay moved page Electrostatics to Construction:Electrostatics Tag: New redirect
• 14:1014:10, 18 October 2023 diff hist 0‎ m Category:Electrostatics ‎ Svijay moved page Electrostatics to Construction:Electrostatics
• 13:2913:29, 18 October 2023 diff hist −102‎ Computing the work function ‎ →‎Step-by-step instructions
• 13:2513:25, 18 October 2023 diff hist −6‎ m Computing the work function ‎ Change epsilon formatting
• 13:1413:14, 18 October 2023 diff hist +26‎ NELECT ‎ →‎Use in the context of charged calculations
• 13:1113:11, 18 October 2023 diff hist +258‎ N Category:Electrostatics ‎ Created page with "== How to == Practical guide to electrostatic corrections implemented in VASP * Monopole, Dipole and Quadrupole corrections * [..."
• 13:0013:00, 18 October 2023 diff hist −4,661‎ Monopole Dipole and Quadrupole Corrections ‎ Refactor all text to the table. Move text to the relevant tag descriptions - remove copied text.
• 12:5712:57, 18 October 2023 diff hist +12‎ m LMONO ‎No edit summary
• 12:5012:50, 18 October 2023 diff hist +11‎ m IDIPOL ‎No edit summary
• 12:2112:21, 18 October 2023 diff hist +42‎ LDIPOL ‎ refactor text - tips for convergence
• 12:0812:08, 18 October 2023 diff hist +1‎ m DIPOL ‎No edit summary current
• 12:0712:07, 18 October 2023 diff hist +283‎ DIPOL ‎No edit summary
• 11:4411:44, 18 October 2023 diff hist +157‎ m IDIPOL ‎ Refactor text and use NB
• 10:1510:15, 18 October 2023 diff hist +1‎ m EPSILON ‎No edit summary
• 10:1110:11, 18 October 2023 diff hist +2,431‎ NELECT ‎No edit summary
• 09:4609:46, 18 October 2023 diff hist +143‎ N 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. current
• 07:5707:57, 18 October 2023 diff hist +53‎ N Construction:Computing-the-workfunction ‎ Svijay moved page Construction:Computing-the-workfunction to Construction:Computing the workfunction current Tag: New redirect
• 07:5707:57, 18 October 2023 diff hist 0‎ m Computing the work function ‎ Svijay moved page Construction:Computing-the-workfunction to Construction:Computing the workfunction
• 07:5507:55, 18 October 2023 diff hist +4‎ N Construction:Category:Electrostatics ‎ Created page with "TODO" current

17 October 2023

• 15:2515:25, 17 October 2023 diff hist 0‎ m DIPOL ‎No edit summary
• 14:3214:32, 17 October 2023 diff hist +92‎ Computing the work function ‎No edit summary
• 14:2914:29, 17 October 2023 diff hist +3‎ Computing the work function ‎No edit summary
• 14:2114:21, 17 October 2023 diff hist +1,674‎ Computing the work function ‎No edit summary
• 14:0814:08, 17 October 2023 diff hist +155‎ N 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. current
• 14:0614:06, 17 October 2023 diff hist +323‎ Computing the work function ‎No edit summary
• 14:0314:03, 17 October 2023 diff hist +36‎ Computing the work function ‎No edit summary
• 14:0114:01, 17 October 2023 diff hist −61‎ Computing the work function ‎No edit summary
• 13:5013:50, 17 October 2023 diff hist −91‎ Computing the work function ‎No edit summary
• 13:4013:40, 17 October 2023 diff hist −5‎ Computing the work function ‎No edit summary
• 13:3913:39, 17 October 2023 diff hist +5,615‎ N Computing the work function ‎ 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..."