User contributions for Csheldon
6 March 2025
- 10:0510:05, 6 March 2025 diff hist −14 Calculating the chemical shieldings No edit summary
- 10:0410:04, 6 March 2025 diff hist −2 Calculating the chemical shieldings No edit summary
- 10:0310:03, 6 March 2025 diff hist −3,033 Calculating the chemical shieldings →Chemical shielding
- 10:0210:02, 6 March 2025 diff hist −1 LCHIMAG →Smearing
- 10:0010:00, 6 March 2025 diff hist +1 LCHIMAG →Output
- 09:5909:59, 6 March 2025 diff hist +28 LCHIMAG →Output
- 09:5809:58, 6 March 2025 diff hist −1,592 LCHIMAG →Input
- 09:5609:56, 6 March 2025 diff hist +11 LCHIMAG →NMR specific tags
- 09:5509:55, 6 March 2025 diff hist −1 LCHIMAG →General tags
- 09:5409:54, 6 March 2025 diff hist −8 Calculating the chemical shieldings →Step-by-step instructions
- 09:5409:54, 6 March 2025 diff hist −8 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 09:2709:27, 6 March 2025 diff hist −3 Calculating the hyperfine-coupling constant →Additional tags
- 09:1309:13, 6 March 2025 diff hist +2 LHYPERFINE →Input
- 09:1209:12, 6 March 2025 diff hist −376 LCHIMAG →Input
5 March 2025
- 16:3016:30, 5 March 2025 diff hist 0 Calculating the chemical shieldings →Step-by-step instructions
- 16:2916:29, 5 March 2025 diff hist −34 Calculating the chemical shieldings →Electric field gradient
- 16:1916:19, 5 March 2025 diff hist −2 LEFG No edit summary
- 16:1716:17, 5 March 2025 diff hist +2,440 Calculating the chemical shieldings →Electric field gradient
- 16:1416:14, 5 March 2025 diff hist +96 Calculating the chemical shieldings →Example scripts for convergence tests
- 16:1316:13, 5 March 2025 diff hist −78 Calculating the chemical shieldings →Energetic break criterion tests
- 16:1316:13, 5 March 2025 diff hist −78 Calculating the chemical shieldings →Energy cutoff tests
- 16:1216:12, 5 March 2025 diff hist −32 Calculating the chemical shieldings →Energy cutoff tests
- 16:1216:12, 5 March 2025 diff hist −32 Calculating the chemical shieldings →k-points tests
- 16:1216:12, 5 March 2025 diff hist −32 Calculating the chemical shieldings →Energetic break criterion tests
- 16:1116:11, 5 March 2025 diff hist +1,927 Calculating the chemical shieldings →Recommendations and advice
- 16:1016:10, 5 March 2025 diff hist +1,980 Calculating the chemical shieldings →Chemical shielding
- 15:5615:56, 5 March 2025 diff hist −1 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:5215:52, 5 March 2025 diff hist −25 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:5115:51, 5 March 2025 diff hist −1 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:5115:51, 5 March 2025 diff hist +470 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:3915:39, 5 March 2025 diff hist +4 Template:Cite No edit summary
- 15:3815:38, 5 March 2025 diff hist −120 LHYPERFINE →Units
- 15:3815:38, 5 March 2025 diff hist +5 LHYPERFINE →Input
- 15:3815:38, 5 March 2025 diff hist −54 LHYPERFINE →Input
- 15:3515:35, 5 March 2025 diff hist −8 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:3315:33, 5 March 2025 diff hist +1 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:3315:33, 5 March 2025 diff hist +144 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:3215:32, 5 March 2025 diff hist +218 NGYROMAG No edit summary
- 15:3215:32, 5 March 2025 diff hist +844 Template:Cite No edit summary
- 15:1615:16, 5 March 2025 diff hist +5 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:1515:15, 5 March 2025 diff hist +2 Calculating the hyperfine-coupling constant No edit summary
- 15:1415:14, 5 March 2025 diff hist +25 Calculating the hyperfine-coupling constant →Step-by-step instructions
- 15:0015:00, 5 March 2025 diff hist +23 Calculating the hyperfine-coupling constant →Structure
- 14:5914:59, 5 March 2025 diff hist +61 Calculating the hyperfine-coupling constant →PAW pseudopotential
- 14:5414:54, 5 March 2025 diff hist −9 Calculating the hyperfine-coupling constant →Hybrid functionals
- 14:5414:54, 5 March 2025 diff hist −365 Calculating the hyperfine-coupling constant No edit summary
- 14:2014:20, 5 March 2025 diff hist 0 Calculating the hyperfine-coupling constant No edit summary
- 14:1714:17, 5 March 2025 diff hist −2 Calculating the hyperfine-coupling constant No edit summary
- 14:1614:16, 5 March 2025 diff hist +798 Calculating the hyperfine-coupling constant →Recommendations and advice
- 13:1913:19, 5 March 2025 diff hist +161 Calculating the hyperfine-coupling constant →Recommendations and advice