User contributions for Csheldon
11 July 2024
- 13:2413:24, 11 July 2024 diff hist 0 Pulay stress →Introduction
- 13:2413:24, 11 July 2024 diff hist −2 Pulay stress →Introduction
- 13:2213:22, 11 July 2024 diff hist +2 Pulay stress →Introduction
- 13:2113:21, 11 July 2024 diff hist +244 Pulay stress →Introduction
- 13:1813:18, 11 July 2024 diff hist +11 Pulay stress →Introduction
- 13:1713:17, 11 July 2024 diff hist +2 Pulay stress →Introduction
- 13:1713:17, 11 July 2024 diff hist +8 Pulay stress →Introduction
- 13:1613:16, 11 July 2024 diff hist 0 Pulay stress →Introduction
- 13:1513:15, 11 July 2024 diff hist −5 Pulay stress →Introduction
- 13:1413:14, 11 July 2024 diff hist +2 Pulay stress →Introduction
- 11:5911:59, 11 July 2024 diff hist +11 Pulay stress →Introduction
- 11:5811:58, 11 July 2024 diff hist +2 Pulay stress →Introduction
- 11:5811:58, 11 July 2024 diff hist +2 Pulay stress →Introduction
- 11:5611:56, 11 July 2024 diff hist −19 Pulay stress →Introduction
- 11:5411:54, 11 July 2024 diff hist −3 Pulay stress →Introduction
- 11:5211:52, 11 July 2024 diff hist +2 Pulay stress →Introduction
- 11:5011:50, 11 July 2024 diff hist +19 Pulay stress →Introduction
- 11:5011:50, 11 July 2024 diff hist −20 Pulay stress →Introduction
- 10:1810:18, 11 July 2024 diff hist +21 Pulay stress →Introduction Tag: Manual revert
- 10:1710:17, 11 July 2024 diff hist +15 Pulay stress →Introduction
- 10:1710:17, 11 July 2024 diff hist −33 Pulay stress →Introduction
- 10:1710:17, 11 July 2024 diff hist +31 Pulay stress →Introduction
- 10:1710:17, 11 July 2024 diff hist +4 Pulay stress →Introduction
- 10:1610:16, 11 July 2024 diff hist −38 Pulay stress →Introduction
- 10:1510:15, 11 July 2024 diff hist +32 Pulay stress →Introduction
- 10:1310:13, 11 July 2024 diff hist −45 Pulay stress →Introduction
- 10:1310:13, 11 July 2024 diff hist +2 Pulay stress →Introduction
- 10:1210:12, 11 July 2024 diff hist −52 Pulay stress →Introduction
- 10:0910:09, 11 July 2024 diff hist +211 Pulay stress →Introduction
- 10:0410:04, 11 July 2024 diff hist +3 Pulay stress →Step 1.
10 July 2024
- 08:4108:41, 10 July 2024 diff hist +122 Pulay stress →Step 1.
- 08:3408:34, 10 July 2024 diff hist +4 Pulay stress →Step 1.
- 08:3408:34, 10 July 2024 diff hist +65 Pulay stress →Step 1.
- 08:2908:29, 10 July 2024 diff hist +1 m IBRION →IBRION=1: ionic relaxation (RMM-DIIS). Tag: Visual edit
- 08:2808:28, 10 July 2024 diff hist 0 IBRION →IBRION=1: ionic relaxation (RMM-DIIS). Tag: Visual edit
9 July 2024
- 13:5713:57, 9 July 2024 diff hist +13 Pulay stress No edit summary
- 13:5713:57, 9 July 2024 diff hist +6 Pulay stress →Introduction
- 13:5613:56, 9 July 2024 diff hist +26 Pulay stress No edit summary
- 12:4912:49, 9 July 2024 diff hist 0 Pulay stress →Step 4.
- 12:4812:48, 9 July 2024 diff hist 0 Pulay stress No edit summary
- 12:3812:38, 9 July 2024 diff hist −1 Pulay stress →Introduction
- 12:3812:38, 9 July 2024 diff hist 0 Pulay stress No edit summary
8 July 2024
- 08:5108:51, 8 July 2024 diff hist 0 Pulay stress →Possible issues and advice on how to address them
- 08:4408:44, 8 July 2024 diff hist 0 File:Kpoint comp.png Csheldon uploaded a new version of File:Kpoint comp.png
- 08:4408:44, 8 July 2024 diff hist 0 File:ENCUT comp.png Csheldon uploaded a new version of File:ENCUT comp.png
- 08:4408:44, 8 July 2024 diff hist +12 Pulay stress →How to correct
- 08:1608:16, 8 July 2024 diff hist +2 Pulay stress →1. Volume relaxation
- 08:1608:16, 8 July 2024 diff hist 0 Pulay stress →Step 4b.
- 08:1608:16, 8 July 2024 diff hist 0 Pulay stress →1. Volume relaxation
- 08:1508:15, 8 July 2024 diff hist −1 Pulay stress →1. Volume relaxation
