User contributions for Huebsch
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 current
17 December 2024
- 13:3313:33, 17 December 2024 diff hist −195 MediaWiki:Sitenotice No edit summary current
7 November 2024
- 07:4007:40, 7 November 2024 diff hist +20 LWANNIER90 RUN →Related tags and articles current
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 current
- 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 current
- 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
- 10:2710:27, 18 October 2024 diff hist −208 Time-propagation algorithms in molecular dynamics No edit summary
- 10:2110:21, 18 October 2024 diff hist 0 m Time-propagation algorithms in molecular dynamics Huebsch moved page Construction:Molecular dynamics propagation algorithms to Time-propagation algorithms in molecular dynamics without leaving a redirect
- 10:2010:20, 18 October 2024 diff hist −12 Construction:IBRION →Molecular dynamics
- 10:1910:19, 18 October 2024 diff hist −5 Construction:IBRION →Computing the phonon modes
- 10:1710:17, 18 October 2024 diff hist −52 Construction:IBRION No edit summary
- 10:1210:12, 18 October 2024 diff hist +1,319 Construction:IBRION No edit summary
- 10:0210:02, 18 October 2024 diff hist +40 N Linear response Redirected page to Category:Linear response current Tag: New redirect
- 08:2708:27, 18 October 2024 diff hist +44 Construction:LNOAUGXC No edit summary current
- 07:3607:36, 18 October 2024 diff hist +16 ICHARG →Related tags and articles current
- 07:1907:19, 18 October 2024 diff hist +33 ICHARG No edit summary
- 07:1807:18, 18 October 2024 diff hist +16 Vasp.lock No edit summary current
- 07:1807:18, 18 October 2024 diff hist +20 GAMMA No edit summary