User contributions for Wolloch

19 October 2023

• 07:2807:28, 19 October 2023 diff hist −94‎ Available pseudopotentials ‎ →‎potpaw.52
• 07:2807:28, 19 October 2023 diff hist +593‎ Available pseudopotentials ‎ →‎potpaw.52
• 07:2507:25, 19 October 2023 diff hist +241‎ Available pseudopotentials ‎ →‎Ultrasoft pseudopotentials for LDA and PW91 (2002)

18 October 2023

• 15:3315:33, 18 October 2023 diff hist +1‎ Choosing pseudopotentials ‎ →‎Lanthanides with fixed valence
• 15:3215:32, 18 October 2023 diff hist +404‎ Choosing pseudopotentials ‎ →‎f-elements
• 15:1715:17, 18 October 2023 diff hist +3,058‎ Choosing pseudopotentials ‎ →‎Recommendations and advice
• 15:1615:16, 18 October 2023 diff hist −62‎ Available pseudopotentials ‎ →‎Recommendations and information regarding PAW potentials
• 15:1515:15, 18 October 2023 diff hist −3,061‎ Available pseudopotentials ‎ →‎f-elements
• 15:1415:14, 18 October 2023 diff hist +1‎ Choosing pseudopotentials ‎ →‎d-elements
• 15:1415:14, 18 October 2023 diff hist +1‎ Choosing pseudopotentials ‎ →‎d-elements
• 15:1315:13, 18 October 2023 diff hist +1,398‎ Choosing pseudopotentials ‎ →‎Recommendations and advice
• 15:1215:12, 18 October 2023 diff hist −1,371‎ Available pseudopotentials ‎ →‎d-elements
• 15:1115:11, 18 October 2023 diff hist +3,141‎ Choosing pseudopotentials ‎No edit summary
• 15:1015:10, 18 October 2023 diff hist −285‎ Available pseudopotentials ‎ →‎p-elements
• 15:0215:02, 18 October 2023 diff hist −909‎ Available pseudopotentials ‎ →‎Alkali and alkali-earth elements (simple metals)
• 14:5714:57, 18 October 2023 diff hist −1,377‎ Available pseudopotentials ‎ →‎First row elements
• 14:5614:56, 18 October 2023 diff hist −190‎ Choosing pseudopotentials ‎ →‎Step-by-step instructions
• 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