User contributions for Huebsch
31 January 2024
- 10:3610:36, 31 January 2024 diff hist +835 N LWRITE SPN Created page with "{{TAGDEF|LWRITE_SPN|.TRUE. {{!}} .FALSE.|.FALSE.}} {{DISPLAYTITLE:LWRITE_SPN}} Description: Write '''wannier90.spn''' file for noncollinear calculations. ---- For noncollinear calculations ({{TAG|LNONCOLLINEAR}}=T using vasp_ncl) the '''wannier90.spn''' file is written when {{TAGBL|LWANNIER90}}=T ! switch on Wannier90 interface {{TAGBL|LWRITE_SPN}}=T The file is formatted, and the appropriate line (<code>spn_formatted = .true.</code>) is automatically added to..."
- 07:3507:35, 31 January 2024 diff hist +21 XC C No edit summary
- 07:2407:24, 31 January 2024 diff hist −10 XC No edit summary
28 January 2024
- 14:2814:28, 28 January 2024 diff hist +1,272 Known issues No edit summary
3 January 2024
- 12:2012:20, 3 January 2024 diff hist +2,442 N Minimal reproducible example Created page with "A '''minimal reproducible example''' is a set of input and output files that allow a bug, problem, or result to be demonstrated and reproduced. A crucial point is that the '''minimal reproducible example''' should be as small and simple as possible. It is helpful to create a '''minimal reproducible example''' when reporting an issue to a colleague, supervisor, or on the [https://www.vasp.at/forum/ VASP forum], but also as a starting point to explore more options and fe..." current
30 December 2023
- 15:1715:17, 30 December 2023 diff hist −3 ICHARG No edit summary
21 December 2023
- 14:1214:12, 21 December 2023 diff hist +2 Category:Dielectric properties →Magneto-optical Kerr effect (MOKE)
30 November 2023
- 09:2809:28, 30 November 2023 diff hist −26 Category:Symmetry No edit summary current Tag: Manual revert
- 09:2709:27, 30 November 2023 diff hist +26 Category:Symmetry No edit summary Tag: Reverted
29 November 2023
- 07:4207:42, 29 November 2023 diff hist −894 Construction:TODO →VASP Wiki backlog current Tag: Manual revert
17 November 2023
- 08:1008:10, 17 November 2023 diff hist +332 LATTICE CONSTRAINTS No edit summary
14 November 2023
- 09:1009:10, 14 November 2023 diff hist +32 N Symmetry Redirected page to Category:Symmetry current Tag: New redirect
13 November 2023
- 08:1108:11, 13 November 2023 diff hist 0 m Thermodynamic integration with harmonic reference Huebsch moved page Category:Thermodynamic integration with harmonic reference to Thermodynamic integration with harmonic reference without leaving a redirect
- 07:5707:57, 13 November 2023 diff hist +33 The VASP Manual No edit summary
- 07:5607:56, 13 November 2023 diff hist +35 N Mueller-Plathe method Redirected page to Müller-Plathe method current Tag: New redirect
12 November 2023
- 14:4714:47, 12 November 2023 diff hist +254 Template:Cite No edit summary
- 14:3714:37, 12 November 2023 diff hist +1 IMAGES →Use cases
- 14:3614:36, 12 November 2023 diff hist +24 IMAGES →Use cases
- 14:3314:33, 12 November 2023 diff hist −311 Improved dimer method No edit summary
- 14:2914:29, 12 November 2023 diff hist +2,294 Category:Transition states No edit summary
- 13:3313:33, 12 November 2023 diff hist +650 Template:Cite No edit summary
- 12:4312:43, 12 November 2023 diff hist +23 Category:Transition states →How to
- 12:4212:42, 12 November 2023 diff hist 0 IRC VNORM0 No edit summary current
- 12:4212:42, 12 November 2023 diff hist +144 IRC VNORM0 No edit summary
- 12:3912:39, 12 November 2023 diff hist +55 IRC MAXSTEP No edit summary current
- 12:3912:39, 12 November 2023 diff hist +42 IRC MAXSTEP No edit summary
- 12:3912:39, 12 November 2023 diff hist −6 IRC MINSTEP No edit summary current
- 12:3712:37, 12 November 2023 diff hist +1 m IRC MINSTEP No edit summary Tag: Visual edit
- 12:3612:36, 12 November 2023 diff hist −12 IRC MINSTEP No edit summary
- 12:3512:35, 12 November 2023 diff hist 0 IRC MINSTEP No edit summary
- 12:3512:35, 12 November 2023 diff hist +2 IRC MINSTEP No edit summary
- 12:3512:35, 12 November 2023 diff hist +112 IRC MINSTEP No edit summary
- 12:2612:26, 12 November 2023 diff hist +56 N IRC calculations Huebsch moved page IRC calculations to Intrinsic-reaction-coordinate calculations current Tag: New redirect
- 12:2612:26, 12 November 2023 diff hist 0 m Intrinsic-reaction-coordinate calculations Huebsch moved page IRC calculations to Intrinsic-reaction-coordinate calculations
- 12:2312:23, 12 November 2023 diff hist +140 IRC DELTA0 No edit summary current
- 12:2112:21, 12 November 2023 diff hist −4 IRC STOP No edit summary current
- 12:1512:15, 12 November 2023 diff hist +584 IRC STOP No edit summary
- 11:5111:51, 12 November 2023 diff hist −3 Intrinsic-reaction-coordinate calculations No edit summary
- 11:5111:51, 12 November 2023 diff hist +175 Intrinsic-reaction-coordinate calculations No edit summary
- 05:3705:37, 12 November 2023 diff hist +159 IRC DIRECTION No edit summary current
- 05:3505:35, 12 November 2023 diff hist −14 FINDIFF No edit summary current
- 05:3005:30, 12 November 2023 diff hist +34 Intrinsic-reaction-coordinate calculations No edit summary
- 05:2305:23, 12 November 2023 diff hist −54 Intrinsic-reaction-coordinate calculations No edit summary
- 05:2305:23, 12 November 2023 diff hist +264 Template:Cite No edit summary
11 November 2023
- 07:3707:37, 11 November 2023 diff hist +5 Best practices for machine-learned force fields →Generating a representative test set Tag: Visual edit
- 07:3407:34, 11 November 2023 diff hist +1,852 Best practices for machine-learned force fields →Testing
1 November 2023
- 13:3313:33, 1 November 2023 diff hist −19 LDIPOL No edit summary current
- 13:2213:22, 1 November 2023 diff hist +50 Computing the work function →Example
31 October 2023
- 11:0411:04, 31 October 2023 diff hist +1 LORBIT →For {{TAG|LORBIT}} > 10
- 08:5708:57, 31 October 2023 diff hist +176 The VASP Manual No edit summary