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14 June 2024
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11:52 | List of hybrid functionals 2 changes history −13 [Huebsch (2×)] | |||
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11:52 (cur | prev) 0 Huebsch talk contribs (→Range-separated hybrid functionals) | ||||
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09:47 (cur | prev) −13 Huebsch talk contribs | ||||
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10:39 | DFT-D4 2 changes history +47 [Huebsch (2×)] | |||
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10:39 (cur | prev) +40 Huebsch talk contribs | ||||
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10:38 (cur | prev) +7 Huebsch talk contribs (→Usage) | ||||
| 06:12 | Slow-growth approach diffhist −2 Huebsch talk contribs (→Anderson thermostat) | ||||
13 June 2024
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20:10 | DFT-D4 10 changes history +1,432 [Schlipf (10×)] | |||
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20:10 (cur | prev) +30 Schlipf talk contribs (→Usage) | ||||
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20:08 (cur | prev) −1 Schlipf talk contribs | ||||
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20:07 (cur | prev) −15 Schlipf talk contribs (→Usage) | ||||
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20:06 (cur | prev) +43 Schlipf talk contribs | ||||
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20:05 (cur | prev) +951 Schlipf talk contribs | ||||
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19:47 (cur | prev) +19 Schlipf talk contribs | ||||
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19:47 (cur | prev) +32 Schlipf talk contribs | ||||
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10:22 (cur | prev) +2 Schlipf talk contribs (→Usage) Tag: Visual edit | ||||
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07:41 (cur | prev) −1 Schlipf talk contribs | ||||
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07:40 (cur | prev) +372 Schlipf talk contribs | ||||
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09:41 | Choosing pseudopotentials 2 changes history +412 [Wolloch (2×)] | |||
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09:41 (cur | prev) +1 Wolloch talk contribs (→Recommendations and advice) | |||
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09:19 (cur | prev) +411 Wolloch talk contribs (→Recommendations and advice) | ||||
| 08:22 | Best practices for machine-learned force fields diffhist +1 Jona talk contribs | ||||
12 June 2024
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14:09 | Choosing pseudopotentials 7 changes history +834 [Huebsch (2×); Wolloch (5×)] | |||
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14:09 (cur | prev) −8 Wolloch talk contribs (→Related tags and sections) | ||||
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14:02 (cur | prev) +74 Wolloch talk contribs (→f-elements) | ||||
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14:01 (cur | prev) +74 Wolloch talk contribs (→d-elements) | ||||
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13:58 (cur | prev) +155 Wolloch talk contribs (→First-row elements) | ||||
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13:54 (cur | prev) +518 Wolloch talk contribs | ||||
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09:54 (cur | prev) +12 Huebsch talk contribs (→Recommended PAW potentials) | ||||
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09:42 (cur | prev) +9 Huebsch talk contribs | ||||
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11:23 | List of hybrid functionals 4 changes history +79 [Tal (4×)] | |||
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11:23 (cur | prev) +30 Tal talk contribs Tag: Visual edit | |||
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10:49 (cur | prev) +30 Tal talk contribs | ||||
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09:09 (cur | prev) −11 Tal talk contribs | ||||
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09:07 (cur | prev) +30 Tal talk contribs | ||||
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N 10:22 | DFT-D4 2 changes history +817 [Schlipf (2×)] | |||
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10:22 (cur | prev) +626 Schlipf talk contribs | ||||
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09:48 (cur | prev) +191 Schlipf talk contribs (Created page with "== Related tags and articles == {{TAG|VDW_S6}}, {{TAG|VDW_S8}}, {{TAG|VDW_A1}}, {{TAG|VDW_A2}}, DFT-D3 Category:Exchange-correlation functionalsCategory:Van der Waals functionals") | |||
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09:29 | Preparing a POTCAR 2 changes history +119 [Huebsch (2×)] | |||
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09:29 (cur | prev) +28 Huebsch talk contribs (→Step-by-step instructions) | ||||
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09:27 (cur | prev) +91 Huebsch talk contribs (→Step-by-step instructions) | ||||
| 08:53 | Computing the work function diffhist +47 Schlipf talk contribs (→Related tags and articles) | ||||
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08:25 | ACFDT/RPA calculations 4 changes history +46 [Huebsch; Kaltakm (3×)] | |||
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08:25 (cur | prev) +1 Huebsch talk contribs (→K-point convergence: Spline interpolation) | ||||
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06:56 (cur | prev) +2 Kaltakm talk contribs (→K-point convergence: Spline interpolation) | ||||
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06:55 (cur | prev) +59 Kaltakm talk contribs (→K-point convergence: Spline interpolation) | ||||
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06:51 (cur | prev) −16 Kaltakm talk contribs (→K-point convergence: Spline interpolation) | ||||
11 June 2024
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15:50 | Choosing pseudopotentials 2 changes history +108 [Huebsch (2×)] | |||
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15:50 (cur | prev) +26 Huebsch talk contribs (→Aspects to refine the choice of pseudopotentials) | ||||
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15:41 (cur | prev) +82 Huebsch talk contribs (→First-row elements) | ||||
| 15:40 | Move log Huebsch talk contribs moved page Construction:Choosing pseudopotentials to Choosing pseudopotentials without leaving a redirect | ||||
| 15:33 | Construction:Choosing pseudopotentials diffhist +104 Huebsch talk contribs | ||||
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15:24 | ACFDT/RPA calculations 5 changes history +3,291 [Kaltakm (5×)] | |||
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15:24 (cur | prev) +122 Kaltakm talk contribs (→Related Tags and Sections) | ||||
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15:08 (cur | prev) +6 Kaltakm talk contribs (→K-point convergence: Spline interpolation) | ||||
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14:51 (cur | prev) −2 Kaltakm talk contribs (→K-point convergence: Spline interpolation) | ||||
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14:46 (cur | prev) −4 Kaltakm talk contribs (→K-point convergence: Spline interpolation) | ||||
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14:34 (cur | prev) +3,169 Kaltakm talk contribs (→Possible tests and known issues) | ||||
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14:37 | Preparing a POTCAR 3 changes history +141 [Wolloch; Huebsch (2×)] | |||
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14:37 (cur | prev) −6 Wolloch talk contribs (→Example for preparing a {{FILE|POTCAR}} for the Heusler alloy TiCo_2Si) | ||||
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13:52 (cur | prev) −212 Huebsch talk contribs | ||||
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13:44 (cur | prev) +359 Huebsch talk contribs (→Step-by-step instructions) | ||||