User contributions for Schlipf
18 October 2024
- 11:4911:49, 18 October 2024 diff hist +28 NSW →Related tags and articles current
- 11:4911:49, 18 October 2024 diff hist +28 ISIF →Related tags and articles current
- 11:4811:48, 18 October 2024 diff hist +28 CONTCAR →Related tags and articles current
- 11:1511:15, 18 October 2024 diff hist +19 Structure optimization →References
- 11:1411:14, 18 October 2024 diff hist +9 Construction:IBRION No edit summary current
- 11:1411:14, 18 October 2024 diff hist +28 Category:Ionic minimization →How to current Tag: Visual edit
- 11:1311:13, 18 October 2024 diff hist 0 Structure optimization No edit summary
- 11:1311:13, 18 October 2024 diff hist +91 Structure optimization →References
- 11:1111:11, 18 October 2024 diff hist +51 Structure optimization No edit summary
- 11:0711:07, 18 October 2024 diff hist −14 IBRION →User-supplied interactive changes to positions and lattice vectors Tag: Visual edit
- 11:0611:06, 18 October 2024 diff hist +36 N VASP Wiki:Structure optimization Schlipf moved page VASP Wiki:Structure optimization to Structure optimization current Tag: New redirect
- 11:0611:06, 18 October 2024 diff hist 0 m Structure optimization Schlipf moved page VASP Wiki:Structure optimization to Structure optimization
- 11:0511:05, 18 October 2024 diff hist +46 N Construction:Structure optimization Schlipf moved page Construction:Structure optimization to VASP Wiki:Structure optimization current Tag: New redirect
- 11:0511:05, 18 October 2024 diff hist 0 m Structure optimization Schlipf moved page Construction:Structure optimization to VASP Wiki:Structure optimization
- 11:0511:05, 18 October 2024 diff hist +9 IBRION →User-supplied interactive changes to positions and lattice vectors
- 11:0411:04, 18 October 2024 diff hist −8,674 IBRION Split how-to part of IBRION into new page "structure optimization"
- 08:2508:25, 18 October 2024 diff hist +41 Construction:IBRION No edit summary
- 07:1907:19, 18 October 2024 diff hist −1 Structure optimization →Understanding the output
- 07:1807:18, 18 October 2024 diff hist −4 Structure optimization →Conjugate gradient
- 07:1707:17, 18 October 2024 diff hist +4 Structure optimization →Conjugate gradient
- 07:1607:16, 18 October 2024 diff hist +1 Structure optimization →RMM-DIIS
- 07:1607:16, 18 October 2024 diff hist +2 Structure optimization →RMM-DIIS
- 07:1407:14, 18 October 2024 diff hist −1 Structure optimization →Common considerations
- 06:5606:56, 18 October 2024 diff hist +5 Structure optimization →Common considerations
- 06:5506:55, 18 October 2024 diff hist −2,089 Structure optimization →Understanding the output
17 October 2024
- 13:0213:02, 17 October 2024 diff hist −383 Structure optimization →Damped molecular dynamics
- 10:0110:01, 17 October 2024 diff hist +630 Structure optimization No edit summary
- 09:5009:50, 17 October 2024 diff hist +723 Structure optimization →Understanding the output
- 09:3909:39, 17 October 2024 diff hist +292 Structure optimization →Understanding the output
- 09:3109:31, 17 October 2024 diff hist +728 Structure optimization →Conjugate gradient
- 09:1909:19, 17 October 2024 diff hist +906 Structure optimization →RMM-DIIS
- 08:5708:57, 17 October 2024 diff hist +18 Structure optimization →Conjugate gradient
- 08:5008:50, 17 October 2024 diff hist −301 Structure optimization →Conjugate gradient
16 October 2024
- 14:4814:48, 16 October 2024 diff hist −909 Structure optimization →RMM-DIIS
- 12:0612:06, 16 October 2024 diff hist +105 Structure optimization No edit summary
- 12:0112:01, 16 October 2024 diff hist −112 Structure optimization →Common considerations
- 10:3910:39, 16 October 2024 diff hist +1,992 Structure optimization No edit summary
15 October 2024
- 12:4512:45, 15 October 2024 diff hist 0 N File:Structure optimization.png No edit summary current
- 10:0810:08, 15 October 2024 diff hist −3 Construction:IBRION No edit summary
- 10:0810:08, 15 October 2024 diff hist +442 Construction:IBRION →User-supplied interactive changes
- 09:4609:46, 15 October 2024 diff hist +300 Construction:IBRION →Analyzing transition states
- 09:3709:37, 15 October 2024 diff hist −2,093 Construction:IBRION →Computing the phonon modes
- 09:3609:36, 15 October 2024 diff hist +1 Construction:IBRION →Computing the phonon modes
- 09:3209:32, 15 October 2024 diff hist +8 Construction:IBRION No edit summary
- 09:3109:31, 15 October 2024 diff hist +322 Construction:IBRION →Computing the phonon modes
- 09:2409:24, 15 October 2024 diff hist +1,031 Construction:IBRION →Computing the phonon modes
- 09:1509:15, 15 October 2024 diff hist +32 Structure optimization No edit summary
- 09:1109:11, 15 October 2024 diff hist −4,022 Construction:IBRION No edit summary
- 09:0809:08, 15 October 2024 diff hist −7,118 Construction:IBRION No edit summary
- 09:0509:05, 15 October 2024 diff hist +11,264 N Structure optimization Created page with "=== RMM-DIIS ({{TAG|IBRION}}=1) === For {{TAG|IBRION}}=1, a quasi-Newton (variable metric) algorithm is used to relax the ions into their instantaneous groundstate. The forces and the stress tensor are used to determine the search directions for finding the equilibrium positions (the total energy is not taken into account). This algorithm is very fast and efficient close to local minima, but fails badly if the initial positions are a bad guess (use {{TAG|IBRION}}=2 in t..."
