User contributions for Csheldon
28 May 2025
- 13:5113:51, 28 May 2025 diff hist +351 POSCAR →Full format specification current
- 13:4313:43, 28 May 2025 diff hist +21 POSCAR No edit summary
- 13:3313:33, 28 May 2025 diff hist +39 POSCAR No edit summary
- 13:3113:31, 28 May 2025 diff hist +82 Category:GW No edit summary current
- 13:2913:29, 28 May 2025 diff hist +145 Category:Bethe-Salpeter equations →Tutorials current
- 13:2813:28, 28 May 2025 diff hist +188 Category:Bethe-Salpeter equations →How to
- 13:2713:27, 28 May 2025 diff hist +140 Category:Machine-learned force fields →Tutorials current
- 13:2613:26, 28 May 2025 diff hist +204 Category:Molecular dynamics No edit summary current
- 13:2313:23, 28 May 2025 diff hist +93 Category:Machine-learned force fields No edit summary
- 13:2213:22, 28 May 2025 diff hist +103 Category:Hybrid functionals No edit summary current
- 13:1913:19, 28 May 2025 diff hist +469 Category:Transition states No edit summary current
- 13:1513:15, 28 May 2025 diff hist +80 Category:Phonons →Tutorials current
- 13:0913:09, 28 May 2025 diff hist +553 Category:Linear response →Tutorials current
- 13:0913:09, 28 May 2025 diff hist +91 Category:Phonons No edit summary
- 13:0513:05, 28 May 2025 diff hist +137 Category:Linear response No edit summary
- 13:0413:04, 28 May 2025 diff hist −1 Category:NMR No edit summary current
- 13:0413:04, 28 May 2025 diff hist +346 Category:NMR No edit summary
- 13:0013:00, 28 May 2025 diff hist +213 POSCAR No edit summary
- 12:5212:52, 28 May 2025 diff hist 0 File:Poscar.png Csheldon uploaded a new version of File:Poscar.png current
- 12:4212:42, 28 May 2025 diff hist −1 Partial charge densities and STM simulations No edit summary current
- 11:5911:59, 28 May 2025 diff hist +115 Partial charge densities and STM simulations No edit summary
- 11:5611:56, 28 May 2025 diff hist +23 Category:Linear response →X-ray absorption spectroscopy (XAS)
- 11:5211:52, 28 May 2025 diff hist +21 POSCAR →Full format specification
- 10:3410:34, 28 May 2025 diff hist −9,871 POSCAR →Full format specification
- 10:3410:34, 28 May 2025 diff hist 0 File:Poscar.png Csheldon uploaded a new version of File:Poscar.png
- 10:3210:32, 28 May 2025 diff hist 0 File:Poscar.png Csheldon uploaded a new version of File:Poscar.png
- 10:2710:27, 28 May 2025 diff hist +56 N File:Poscar.png Labelled POSCAR file with full description
27 May 2025
- 14:2914:29, 27 May 2025 diff hist +37 ALGO No edit summary
- 14:2914:29, 27 May 2025 diff hist +49 ALGO No edit summary
- 14:2714:27, 27 May 2025 diff hist +15 ISEARCH No edit summary
- 14:2214:22, 27 May 2025 diff hist −2 ISEARCH →Recommendations
- 14:2214:22, 27 May 2025 diff hist 0 ISEARCH →Recommendations
- 14:2214:22, 27 May 2025 diff hist +15 ISEARCH →Recommendations
- 14:2114:21, 27 May 2025 diff hist −8 ISEARCH No edit summary
- 14:2014:20, 27 May 2025 diff hist +21 N Construction:ISEARCH Csheldon moved page Construction:ISEARCH to ISEARCH current Tag: New redirect
- 14:2014:20, 27 May 2025 diff hist 0 m ISEARCH Csheldon moved page Construction:ISEARCH to ISEARCH
- 14:1714:17, 27 May 2025 diff hist +2,627 N ISEARCH Created page with "{{TAGDEF|ISEARCH|0 {{!}} 1|0}} Description: {{TAG|ISEARCH}} controls the line search algorithm used during the direct minimization of the electronic structure (when {{TAG|ALGO}} = A). ---- *{{TAG|ISEARCH}} = 0: Legacy line search algorithm. *{{TAG|ISEARCH}} = 1: Improved line search algorithm. The line search determines the optimal step size along the conjugate gradient search direction. <code>{{TAGO|ISEARCH}} = 0</code> performs incremental steps along the search dire..."
- 13:5413:54, 27 May 2025 diff hist +41 The VASP Manual No edit summary current
- 12:1312:13, 27 May 2025 diff hist +491 POSCAR →Full format specification
- 09:1509:15, 27 May 2025 diff hist +1 POSCAR →Full format specification Tag: Visual edit
- 09:0409:04, 27 May 2025 diff hist +10,434 POSCAR No edit summary
26 May 2025
- 15:4415:44, 26 May 2025 diff hist +7 LCHIMAG No edit summary current
- 15:3315:33, 26 May 2025 diff hist +7 LCHIMAG No edit summary
- 15:3115:31, 26 May 2025 diff hist +57 N Calculating the hyperfine coupling constant Csheldon moved page Calculating the hyperfine coupling constant to Calculating the hyperfine-coupling constant current Tag: New redirect
- 15:3115:31, 26 May 2025 diff hist 0 m Calculating the hyperfine-coupling constant Csheldon moved page Calculating the hyperfine coupling constant to Calculating the hyperfine-coupling constant current
- 15:3015:30, 26 May 2025 diff hist 0 QUAD EFG No edit summary current
14 May 2025
- 13:3713:37, 14 May 2025 diff hist −25 Construction:VASP from Gaussian type orbitals →Post-Hartree-Fock current
- 13:3713:37, 14 May 2025 diff hist 0 Construction:VASP from Gaussian type orbitals →Post-Hartree-Fock
- 13:3413:34, 14 May 2025 diff hist −3 Construction:VASP from Gaussian type orbitals →Comparing ECP and PAW
- 11:4611:46, 14 May 2025 diff hist +1 Template:Cite No edit summary current