User contributions for Csheldon

8 October 2024

• 08:2908:29, 8 October 2024 diff hist +82‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 08:2708:27, 8 October 2024 diff hist +190‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 08:1908:19, 8 October 2024 diff hist +4‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 08:1808:18, 8 October 2024 diff hist +288‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 08:0908:09, 8 October 2024 diff hist +689‎ Construction:VASP from Gaussian type orbitals ‎No edit summary

18 September 2024

• 09:5209:52, 18 September 2024 diff hist +24‎ Improved dimer method ‎No edit summary

17 September 2024

• 10:1610:16, 17 September 2024 diff hist +1,082‎ Improved dimer method ‎ →‎Practical example

9 September 2024

• 09:4409:44, 9 September 2024 diff hist +1‎ ISTART ‎No edit summary current Tag: Manual revert
• 09:4309:43, 9 September 2024 diff hist −1‎ ISTART ‎No edit summary Tag: Visual edit
• 09:3009:30, 9 September 2024 diff hist +4‎ ISTART ‎No edit summary
• 09:2609:26, 9 September 2024 diff hist +346‎ Volume relaxation ‎ →‎How to correct current
• 08:4508:45, 9 September 2024 diff hist +249‎ Volume relaxation ‎ →‎1. Volume relaxation
• 08:2908:29, 9 September 2024 diff hist +107‎ Volume relaxation ‎ →‎Step 2.
• 08:2808:28, 9 September 2024 diff hist −1‎ Energy vs volume Volume relaxations and Pulay stress ‎No edit summary current
• 08:2308:23, 9 September 2024 diff hist +164‎ Energy vs volume Volume relaxations and Pulay stress ‎No edit summary Tag: Visual edit: Switched

6 September 2024

• 08:3008:30, 6 September 2024 diff hist 0‎ ALGO ‎ →‎ALGO for response functions and GW calculations and ACFDT/RPA calculations: change ACFTD to ACFDT in two cases Tag: Visual edit

30 August 2024

• 09:1109:11, 30 August 2024 diff hist +2‎ Volume relaxation ‎ →‎How to correct Tag: Visual edit
• 09:1109:11, 30 August 2024 diff hist +1‎ Pulay stress ‎ →‎Introduction current Tag: Visual edit

22 August 2024

• 15:5915:59, 22 August 2024 diff hist +494‎ Construction:VASP from Gaussian type orbitals ‎ →‎Key differences
• 15:5515:55, 22 August 2024 diff hist +1,527‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 15:3615:36, 22 August 2024 diff hist +966‎ Construction:VASP from Gaussian type orbitals ‎No edit summary

21 August 2024

• 07:1307:13, 21 August 2024 diff hist +173‎ Construction:VASP from Gaussian type orbitals ‎No edit summary

20 August 2024

• 15:4915:49, 20 August 2024 diff hist +162‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 10:0910:09, 20 August 2024 diff hist +28‎ Construction:Electric field response from density-functional-perturbation theory ‎ →‎Related tags and sections
• 09:1109:11, 20 August 2024 diff hist +136‎ Construction:VASP from Gaussian type orbitals ‎No edit summary

19 August 2024

• 14:3614:36, 19 August 2024 diff hist −2‎ Pulay stress ‎ →‎Further explanation
• 14:3514:35, 19 August 2024 diff hist −1‎ Volume relaxation ‎ →‎How to correct
• 14:3514:35, 19 August 2024 diff hist −2‎ Volume relaxation ‎ →‎How to correct
• 14:3514:35, 19 August 2024 diff hist +384‎ Volume relaxation ‎ →‎How to correct
• 14:2914:29, 19 August 2024 diff hist +83‎ Pulay stress ‎ →‎Further explanation Tag: Visual edit
• 14:2814:28, 19 August 2024 diff hist +131‎ Pulay stress ‎No edit summary
• 12:1012:10, 19 August 2024 diff hist −35‎ PSTRESS ‎No edit summary current

16 August 2024

• 07:5107:51, 16 August 2024 diff hist +1‎ Known issues ‎No edit summary
• 07:5107:51, 16 August 2024 diff hist +519‎ Known issues ‎No edit summary
• 07:3607:36, 16 August 2024 diff hist +61‎ Construction:VASP from Gaussian type orbitals ‎No edit summary

13 August 2024

• 15:5615:56, 13 August 2024 diff hist 0‎ Pulay stress ‎ →‎Introduction
• 15:5615:56, 13 August 2024 diff hist −2‎ Pulay stress ‎ →‎Introduction
• 15:5615:56, 13 August 2024 diff hist +4‎ Pulay stress ‎ →‎Introduction
• 15:5615:56, 13 August 2024 diff hist 0‎ Pulay stress ‎ →‎Introduction
• 15:5515:55, 13 August 2024 diff hist +112‎ Pulay stress ‎ →‎Introduction
• 15:2215:22, 13 August 2024 diff hist +32‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 15:2115:21, 13 August 2024 diff hist +2,115‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 14:1514:15, 13 August 2024 diff hist +255‎ Construction:VASP from Gaussian type orbitals ‎No edit summary
• 13:5313:53, 13 August 2024 diff hist +44‎ N Construction:Born effective charges ‎ Csheldon moved page Construction:Born effective charges to Construction:VASP for chemists current Tag: New redirect
• 13:5313:53, 13 August 2024 diff hist 0‎ m Construction:VASP from Gaussian type orbitals ‎ Csheldon moved page Construction:Born effective charges to Construction:VASP for chemists
• 13:0513:05, 13 August 2024 diff hist +4‎ Pulay stress ‎ →‎Further explanation Tag: Visual edit
• 13:0513:05, 13 August 2024 diff hist −8‎ Pulay stress ‎ →‎Further explanation
• 12:5612:56, 13 August 2024 diff hist −3,876‎ Construction:VASP from Gaussian type orbitals ‎ Blanked the page Tag: Blanking
• 12:5412:54, 13 August 2024 diff hist +3,876‎ Born effective charges ‎No edit summary current
• 12:5212:52, 13 August 2024 diff hist +3‎ Pulay stress ‎No edit summary