User contributions for Schlipf
14 October 2024
- 11:5711:57, 14 October 2024 diff hist −1,948 Construction:IBRION No edit summary
- 11:5511:55, 14 October 2024 diff hist −7,296 Construction:IBRION No edit summary
- 11:5411:54, 14 October 2024 diff hist +7,928 Construction:IBRION →Structure optimization
- 10:0610:06, 14 October 2024 diff hist +552 Construction:IBRION No edit summary
- 09:3809:38, 14 October 2024 diff hist +1,945 Construction:IBRION No edit summary
- 08:3708:37, 14 October 2024 diff hist +9 Construction:IBRION No edit summary
- 08:3608:36, 14 October 2024 diff hist +15,866 N Construction:IBRION Created page with "{{TAGDEF|IBRION|-1 {{!}} 0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 5 {{!}} 6 {{!}} 7 {{!}} 8 {{!}} 40 {{!}} 44}} {{DEF|IBRION|-1|for {{TAG|NSW}}{{=}}−1 or 0|0|else}} Description: {{TAG|IBRION}} determines how the ions are updated and moved. ---- For {{TAG|IBRION}}=0, a molecular dynamics is performed, whereas all other algorithms are destined for relaxations into a local energy minimum. For difficult relaxation problems it is recommended to use the conjugate gradient algori..."
13 June 2024
- 20:1420:14, 13 June 2024 diff hist +1 DFT-D2 →Related tags and articles current
- 20:1320:13, 13 June 2024 diff hist +11 DFT-D2 →Related tags and articles
- 20:1220:12, 13 June 2024 diff hist +4 VDW S8 No edit summary current
- 20:1220:12, 13 June 2024 diff hist +4 VDW S6 No edit summary
- 20:1220:12, 13 June 2024 diff hist +4 Precompiler options →-DDFTD4
- 20:1120:11, 13 June 2024 diff hist +4 Makefile.include →DFT-D4 (optional)
- 20:1020:10, 13 June 2024 diff hist +30 DFT-D4 →Usage
- 20:0820:08, 13 June 2024 diff hist −1 DFT-D4 No edit summary
- 20:0720:07, 13 June 2024 diff hist −15 DFT-D4 →Usage
- 20:0620:06, 13 June 2024 diff hist +43 DFT-D4 No edit summary
- 20:0520:05, 13 June 2024 diff hist +951 DFT-D4 No edit summary
- 19:5319:53, 13 June 2024 diff hist +1 IVDW →Related tags and articles
- 19:5319:53, 13 June 2024 diff hist +15 IVDW No edit summary
- 19:4719:47, 13 June 2024 diff hist +19 DFT-D4 No edit summary
- 19:4719:47, 13 June 2024 diff hist +32 DFT-D4 No edit summary
- 13:1613:16, 13 June 2024 diff hist +97 Category:Electronic ground-state properties No edit summary current
- 13:1613:16, 13 June 2024 diff hist +74 N File:Work function.png Average potential perpendicular to the surface of the system current
- 10:3510:35, 13 June 2024 diff hist +80 Category:Electronic ground-state properties →Properties of orbitals
- 10:3510:35, 13 June 2024 diff hist +67 N File:Band.jpg Band structure plot of energy eigenvalues of orbitals current
- 10:2310:23, 13 June 2024 diff hist +12 DFT-D3 →Related tags and articles
- 10:2210:22, 13 June 2024 diff hist +2 DFT-D4 →Usage Tag: Visual edit
- 07:4507:45, 13 June 2024 diff hist +15 VDW A2 No edit summary current
- 07:4307:43, 13 June 2024 diff hist +15 VDW A1 No edit summary current
- 07:4307:43, 13 June 2024 diff hist +15 VDW A1 No edit summary
- 07:4107:41, 13 June 2024 diff hist −1 DFT-D4 No edit summary
- 07:4007:40, 13 June 2024 diff hist +372 DFT-D4 No edit summary
- 07:3907:39, 13 June 2024 diff hist +555 Template:Cite No edit summary
12 June 2024
- 10:2210:22, 12 June 2024 diff hist +626 DFT-D4 No edit summary
- 10:0210:02, 12 June 2024 diff hist +11 VDW S8 →Related tags and articles
- 10:0210:02, 12 June 2024 diff hist +12 VDW S6 →Related tags and articles
- 09:5309:53, 12 June 2024 diff hist +133 Category:Van der Waals functionals →How to
- 09:4809:48, 12 June 2024 diff hist +191 N DFT-D4 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"
- 09:4409:44, 12 June 2024 diff hist +4 Category:Exchange-correlation functionals →How to
- 09:3309:33, 12 June 2024 diff hist +1 Category:Electronic ground-state properties →Properties of orbitals Tag: Visual edit
- 09:2909:29, 12 June 2024 diff hist +28 Category:Electronic ground-state properties →Properties on the grid
- 09:0809:08, 12 June 2024 diff hist +4 Category:Electronic ground-state properties No edit summary
- 09:0709:07, 12 June 2024 diff hist +472 Category:Electronic ground-state properties No edit summary
- 09:0309:03, 12 June 2024 diff hist +47 IDIPOL →Related tags and articles current
- 08:5308:53, 12 June 2024 diff hist +47 Computing the work function →Related tags and articles current
11 June 2024
- 12:2212:22, 11 June 2024 diff hist +1,270 Category:Electronic ground-state properties No edit summary
- 12:0912:09, 11 June 2024 diff hist +47 ICHARG →Related tags and articles
- 12:0012:00, 11 June 2024 diff hist +47 CHGCAR →Related tags and articles current
- 11:5911:59, 11 June 2024 diff hist +47 WRT POTENTIAL →Related tags and articles