User contributions for Huebsch
15 January 2025
- 12:4512:45, 15 January 2025 diff hist −135 MediaWiki:Sitenotice No edit summary current Tag: Manual revert
13 January 2025
- 14:4314:43, 13 January 2025 diff hist +768 Known issues No edit summary
7 January 2025
- 11:0611:06, 7 January 2025 diff hist −16 IBRION →Interactively supplied positions and lattice vectors current
- 11:0611:06, 7 January 2025 diff hist −9 IBRION No edit summary
- 11:0511:05, 7 January 2025 diff hist +8 IBRION →Related tags and articles
- 11:0211:02, 7 January 2025 diff hist −9 LNOAUGXC No edit summary current
- 11:0011:00, 7 January 2025 diff hist +31 N Meta-GGA Redirected page to Category:Meta-GGA current Tag: New redirect
- 10:5810:58, 7 January 2025 diff hist 0 m LNOAUGXC Huebsch moved page Construction:LNOAUGXC to LNOAUGXC without leaving a redirect
- 10:4810:48, 7 January 2025 diff hist +48 Charged systems with density functional theory No edit summary current
- 10:3310:33, 7 January 2025 diff hist +5 MediaWiki:Sitenotice No edit summary Tag: Reverted
- 10:2710:27, 7 January 2025 diff hist +39 MediaWiki:Sitenotice No edit summary Tag: Reverted
- 10:2510:25, 7 January 2025 diff hist +91 MediaWiki:Sitenotice No edit summary Tag: Reverted
20 December 2024
- 07:2807:28, 20 December 2024 diff hist +17 Changelog →FEATURE
- 07:2607:26, 20 December 2024 diff hist +16 LSFBXC No edit summary current
- 07:2507:25, 20 December 2024 diff hist +674 N LSFBXC Created page with "{{TAGDEF| LSFBXC |.TRUE. {{!}} .FALSE.|.FALSE.}} Description: Removes sources and drains from the exchange-correlation B field. ---- With {{TAG|LSFBXC}}=T, the sources and drains are removed from the exchange-correlation (XC) B field{{cite|sharma:jctc:2018}} at each step of the electronic minimization. Thus, any XC potential can be constrained to correspond to a Maxwellian magnetic field at the cost of becoming a potential-only XC functional, sinc..."
- 07:2407:24, 20 December 2024 diff hist +323 Template:Cite No edit summary
- 07:1607:16, 20 December 2024 diff hist −16 Changelog No edit summary
- 07:0607:06, 20 December 2024 diff hist +1 ACFDT/RPA calculations →K-point convergence: Spline interpolation current
- 07:0607:06, 20 December 2024 diff hist +22 Changelog →6.5.0
- 06:5706:57, 20 December 2024 diff hist +65 Changelog →FEATURE
- 06:5606:56, 20 December 2024 diff hist −9 Changelog →6.5.0
- 06:5606:56, 20 December 2024 diff hist +1 Changelog →6.5.0
- 06:5506:55, 20 December 2024 diff hist +102 Changelog →FEATURE
19 December 2024
- 12:5012:50, 19 December 2024 diff hist 0 Plugins →Python scripting current
18 December 2024
- 13:1313:13, 18 December 2024 diff hist 0 m Category:Electron-phonon interactions Huebsch moved page Construction:Category:Electron-phonon interactions to Category:Electron-phonon interactions without leaving a redirect
17 December 2024
- 13:3313:33, 17 December 2024 diff hist −195 MediaWiki:Sitenotice No edit summary
7 November 2024
21 October 2024
- 11:4311:43, 21 October 2024 diff hist −41 LCHARG No edit summary current
- 11:4211:42, 21 October 2024 diff hist +5 Construction:Single band steepest descent scheme No edit summary current
- 11:4111:41, 21 October 2024 diff hist 0 m Construction:Single band steepest descent scheme Huebsch moved page Single band steepest descent scheme to Construction:Single band steepest descent scheme without leaving a redirect
- 11:4011:40, 21 October 2024 diff hist +31 The VASP Manual →Featured topics
- 11:3911:39, 21 October 2024 diff hist +29 KPOINTS No edit summary current
- 11:3811:38, 21 October 2024 diff hist −36 ROPT No edit summary current
- 11:3811:38, 21 October 2024 diff hist +21 NLSPLINE No edit summary current
- 11:3711:37, 21 October 2024 diff hist −8 LREAL No edit summary current
- 11:3611:36, 21 October 2024 diff hist −41 LMAXMIX No edit summary current
- 11:3511:35, 21 October 2024 diff hist +49 PRJCAR No edit summary current
- 11:3511:35, 21 October 2024 diff hist −12 LKPROJ No edit summary current
- 11:3411:34, 21 October 2024 diff hist −7 KSPACING No edit summary current
- 11:3411:34, 21 October 2024 diff hist −7 KGAMMA No edit summary current
- 11:3311:33, 21 October 2024 diff hist −18 K-point integration No edit summary current
- 11:3211:32, 21 October 2024 diff hist +5,523 N Category:Crystal momentum Created page with "A crystal is characterized by the fact that it obeys translational symmetry. In many calculations, we only consider the primitive crystal unit cell to save computational time. However in a realistic bulk material, interactions go beyond the primitive unit cell. The concept of '''crystal momentum''' is crucial in order to take into account interactions that go beyond the primitive unit cell during the simulation and it is a consequence of translational invariance. Fo..." current
- 08:0708:07, 21 October 2024 diff hist +6 Construction:Efficient single band eigenvalue-minimization No edit summary current
- 08:0608:06, 21 October 2024 diff hist 0 m Construction:Efficient single band eigenvalue-minimization Huebsch moved page Efficient single band eigenvalue-minimization to Construction:Efficient single band eigenvalue-minimization without leaving a redirect
- 07:5507:55, 21 October 2024 diff hist −40 Harris-Foulkes functional No edit summary current
18 October 2024
- 12:5312:53, 18 October 2024 diff hist −5 IBRION →Computing the phonon modes
- 11:4411:44, 18 October 2024 diff hist 0 Molecular dynamics calculations No edit summary
- 11:3511:35, 18 October 2024 diff hist −36 IMIX No edit summary current
- 11:3311:33, 18 October 2024 diff hist +6 LELF No edit summary current
- 10:2810:28, 18 October 2024 diff hist 0 Time-propagation algorithms in molecular dynamics →Related tags and articles current