User contributions for Wolloch
18 October 2023
- 14:5614:56, 18 October 2023 diff hist +618 Choosing pseudopotentials →Step-by-step instructions
- 14:4714:47, 18 October 2023 diff hist +89 Choosing pseudopotentials No edit summary
- 14:4614:46, 18 October 2023 diff hist +1,397 Choosing pseudopotentials →Step-by-step instructions
- 14:2114:21, 18 October 2023 diff hist +525 Choosing pseudopotentials No edit summary
- 14:1314:13, 18 October 2023 diff hist +22 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:1314:13, 18 October 2023 diff hist −2 Construction:Recommended PAW potentials for calculations involving unoccupied states No edit summary
- 14:1114:11, 18 October 2023 diff hist +1 Construction:Recommended PAW potentials for calculations involving unoccupied states No edit summary
- 14:1114:11, 18 October 2023 diff hist +10 Construction:Recommended PAW potentials for calculations involving unoccupied states No edit summary
- 14:1014:10, 18 October 2023 diff hist −1 Construction:Recommended PAW potentials for calculations involving unoccupied states No edit summary
- 14:1014:10, 18 October 2023 diff hist +722 Construction:Recommended PAW potentials for calculations involving unoccupied states No edit summary
- 14:0614:06, 18 October 2023 diff hist +30 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:0514:05, 18 October 2023 diff hist −9 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:0414:04, 18 October 2023 diff hist −30 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:0414:04, 18 October 2023 diff hist +1 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:0214:02, 18 October 2023 diff hist 0 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:0214:02, 18 October 2023 diff hist −12 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:0214:02, 18 October 2023 diff hist +145 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 14:0014:00, 18 October 2023 diff hist +5,201 Construction:Recommended PAW potentials for calculations involving unoccupied states No edit summary
- 13:5913:59, 18 October 2023 diff hist +98 N Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states Wolloch moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Recommended PAW potentials for calculations involving unoccupied states over redirect current Tag: New redirect
- 13:5913:59, 18 October 2023 diff hist 0 m Construction:Recommended PAW potentials for calculations involving unoccupied states Wolloch moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Recommended PAW potentials for calculations involving unoccupied states over redirect
- 13:5613:56, 18 October 2023 diff hist −111 Construction:Recommended PAW potentials for calculations involving unoccupied states Blanked the page Tag: Blanking
- 13:5113:51, 18 October 2023 diff hist +111 N Construction:Recommended PAW potentials for calculations involving unoccupied states Wolloch moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Construction:Recommended PAW potentials for calculations involving unoccupied states Tag: New redirect
- 13:5113:51, 18 October 2023 diff hist 0 m Construction:Construction:Recommended PAW potentials for calculations involving unoccupied states Wolloch moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Construction:Recommended PAW potentials for calculations involving unoccupied states current
- 13:5013:50, 18 October 2023 diff hist +96 N Construction:Construction:Recommended PAW potentials for calculations involving unoccupied states Wolloch moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Recommended PAW potentials for calculations of mainly occupied states Tag: New redirect
- 13:5013:50, 18 October 2023 diff hist 0 m Construction:Recommended PAW potentials for calculations of mainly occupied states Wolloch moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Recommended PAW potentials for calculations of mainly occupied states
- 13:4513:45, 18 October 2023 diff hist +3,805 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 13:4313:43, 18 October 2023 diff hist −3,778 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 13:3913:39, 18 October 2023 diff hist 0 m Construction:Recommended PAW potentials for calculations of mainly occupied states Wolloch moved page Construction:Recommended PAW potentials for calculations involving unoccupied states to Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states
- 13:3913:39, 18 October 2023 diff hist +1 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 13:3713:37, 18 October 2023 diff hist −1 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary
- 13:3713:37, 18 October 2023 diff hist +8,979 N Construction:Recommended PAW potentials for calculations of mainly occupied states Created page with "The table below highlights recommended PAW potentials in '''bold'''. These potentials are not ideal for calculations involving a large number of excited states as needed e.g...."
- 13:2613:26, 18 October 2023 diff hist +694 N Choosing pseudopotentials Created page with "For many elements several pseudopotential choices exist. The usual tradeoff between computational cost and accuracy and transferability applies. The choice of Construction:P..."
- 13:1113:11, 18 October 2023 diff hist 0 m Available pseudopotentials Wolloch moved page Construction:Available pseudopotentials to Construction:Lists of pseudopotentials
- 13:1113:11, 18 October 2023 diff hist +2 Available pseudopotentials →LDA (2010), PW91 (2006) & PBE (2010) PAW potentials
- 13:1113:11, 18 October 2023 diff hist −905 Available pseudopotentials →List of all pseudopotentials optimized for calculations involving unoccupied states
- 13:0613:06, 18 October 2023 diff hist +7 Available pseudopotentials →Lists of all pseudopotentials for calculations involving mainly occupied states
- 13:0513:05, 18 October 2023 diff hist −162 Available pseudopotentials →Lists of all pseudopotentials for calculations involving mainly occupied states
- 13:0413:04, 18 October 2023 diff hist −710 Available pseudopotentials →Lists of all pseudopotentials for calculations involving mainly occupied states
- 13:0313:03, 18 October 2023 diff hist +7 Available pseudopotentials →Lists of all pseudopotentials for calculations involving occupied states
- 13:0313:03, 18 October 2023 diff hist −162 Available pseudopotentials →potpaw.54
- 13:0213:02, 18 October 2023 diff hist −160 Available pseudopotentials →potpaw.64 (latest)
- 11:5811:58, 18 October 2023 diff hist 0 Available pseudopotentials No edit summary
- 11:5711:57, 18 October 2023 diff hist +13 Available pseudopotentials No edit summary
- 11:5511:55, 18 October 2023 diff hist −190 Available pseudopotentials →LDA (2010), PW91 (2006) & PBE (2010) PAW potentials
- 11:4811:48, 18 October 2023 diff hist +21 Available pseudopotentials →LDA (2010), PW91 (2006) & PBE (2010) PAW potentials
- 11:4711:47, 18 October 2023 diff hist +21 Available pseudopotentials →LDA (2010), PW91 (2006) & PBE (2010) PAW potentials
- 11:4711:47, 18 October 2023 diff hist +97 N Construction:Available PAW PBE potentials for unoccupied states calculations Wolloch moved page Construction:Available PAW PBE potentials for unoccupied states calculations to Construction:Available PAW PBE (2010) potentials for unoccupied states calculations current Tag: New redirect
- 11:4511:45, 18 October 2023 diff hist +604 Available pseudopotentials →List of all pseudopotentials optimized for calculations involving unoccupied states
- 11:3211:32, 18 October 2023 diff hist −29 Available pseudopotentials →Lists of all pseudopotentials for calculations involving occupied states
- 11:2011:20, 18 October 2023 diff hist +407 Available pseudopotentials →potpaw.52 (original univie release version)