User contributions for Csheldon

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

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

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

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

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