User contributions for Wolloch

18 October 2023

• 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)
• 11:2011:20, 18 October 2023 diff hist +408‎ Available pseudopotentials ‎ →‎potpaw.54 (original univie release version)
• 11:1911:19, 18 October 2023 diff hist +368‎ Available pseudopotentials ‎ →‎potpaw.52
• 11:1911:19, 18 October 2023 diff hist +367‎ Available pseudopotentials ‎ →‎potpaw.54
• 11:1911:19, 18 October 2023 diff hist +367‎ Available pseudopotentials ‎ →‎potpaw.64 (latest)
• 11:1711:17, 18 October 2023 diff hist +1‎ Available pseudopotentials ‎ →‎LDA (2010), PW91 (2006) & PBE (2010) PAW potentials
• 11:1611:16, 18 October 2023 diff hist +356‎ Available pseudopotentials ‎ →‎Ultrasoft pseudopotentials for LDA and PW91 (2002)
• 11:1511:15, 18 October 2023 diff hist +559‎ Available pseudopotentials ‎ →‎LDA (2010), PW91 (2006) & PBE (2010) PAW potentials
• 11:1411:14, 18 October 2023 diff hist +426‎ Available pseudopotentials ‎ →‎potpaw.52 (original univie release version)
• 11:1411:14, 18 October 2023 diff hist +426‎ Available pseudopotentials ‎ →‎potpaw.54 (original univie release version)
• 11:1311:13, 18 October 2023 diff hist +378‎ Available pseudopotentials ‎ →‎potpaw.52
• 11:1311:13, 18 October 2023 diff hist +378‎ Available pseudopotentials ‎ →‎potpaw.54
• 10:3910:39, 18 October 2023 diff hist +189‎ Available pseudopotentials ‎ →‎potpaw.64 (latest)
• 10:3910:39, 18 October 2023 diff hist +91‎ Available pseudopotentials ‎ →‎potpaw.64 (latest)
• 10:3610:36, 18 October 2023 diff hist +464‎ Available pseudopotentials ‎No edit summary
• 10:2310:23, 18 October 2023 diff hist +53‎ N Construction:Available PAW potentials ‎ Wolloch moved page Construction:Available PAW potentials to Construction:Available pseudopotentials current Tag: New redirect
• 10:2310:23, 18 October 2023 diff hist 0‎ m Available pseudopotentials ‎ Wolloch moved page Construction:Available PAW potentials to Construction:Available pseudopotentials
• 10:2310:23, 18 October 2023 diff hist −4,838‎ Available pseudopotentials ‎No edit summary

17 October 2023

• 15:0615:06, 17 October 2023 diff hist 0‎ Preparing a POTCAR ‎ →‎Example for Preparing a POTCAR for the Heusler alloy TiCo_2Si
• 15:0515:05, 17 October 2023 diff hist +195‎ Preparing a POTCAR ‎ →‎Example for Preparing a POTCAR for the Heusler alloy TiCo_2Si
• 15:0115:01, 17 October 2023 diff hist +1‎ Preparing a POTCAR ‎ →‎Example for Preparing a POTCAR for the Heusler alloy TiCo_2Si