User contributions for Mani
21 March 2024
- 10:2410:24, 21 March 2024 diff hist −193 Wannier orbitals from VASP →Wannier90: Remove warning current
- 10:2310:23, 21 March 2024 diff hist +384 Known issues Add issue about wannier90 and exclude_bands Tag: Visual edit: Switched
23 February 2024
- 15:3115:31, 23 February 2024 diff hist +5,395 Computing the phonon dispersion and DOS →Polar materials: Expand section, give more details for how to set dielectric properties and show examples of LO-TO splitting current
- 15:0315:03, 23 February 2024 diff hist +129 N File:AlN-phonons-LR-comparison.png Phonon dispersion relation of AlN (wurtzite) comparing calculations with and without long-range dipole corrections. current
- 15:0315:03, 23 February 2024 diff hist +111 N File:MgO-phonons-LR-comparison.png Phonon dispersion relation of MgO comparing calculations with and without long-range corrections. current
- 12:2912:29, 23 February 2024 diff hist −1 m Computing the phonon dispersion and DOS Use TAGO template
9 February 2024
- 11:3311:33, 9 February 2024 diff hist +111 Computing the phonon dispersion and DOS →Step 1: Compute the force constants
- 11:2711:27, 9 February 2024 diff hist −7 Computing the phonon dispersion and DOS →Step 3: Compute the density of states: Change to correct behavior in current VASP version
- 11:2411:24, 9 February 2024 diff hist +86 m Computing the phonon dispersion and DOS →Step 1: Compute the force constants: Add link
- 11:2211:22, 9 February 2024 diff hist +1,262 Computing the phonon dispersion and DOS Add force-constant reading
- 11:0811:08, 9 February 2024 diff hist +47 Computing the phonon dispersion and DOS Move polar-material paragraph
- 10:5510:55, 9 February 2024 diff hist −264 Computing the phonon dispersion and DOS Remove statement about older version of VASP
- 10:4010:40, 9 February 2024 diff hist +688 Wannier orbitals from VASP →SCDM and Wannier90: Make more general
- 10:2810:28, 9 February 2024 diff hist −54 Wannier orbitals from VASP Update difference section and fix some wording
- 10:1710:17, 9 February 2024 diff hist −1,271 Wannier orbitals from VASP →SCDM method: Modify section to match the new LOCPROJ stuff
- 10:0610:06, 9 February 2024 diff hist 0 File:Scdm-bands-c-4.png Mani uploaded a new version of File:Scdm-bands-c-4.png current
- 10:0510:05, 9 February 2024 diff hist −250 Wannier orbitals from VASP →Example - diamond: remove speculation
- 10:0210:02, 9 February 2024 diff hist +2,153 Wannier orbitals from VASP →Example - diamond: Add diamond results
- 09:5709:57, 9 February 2024 diff hist +156 N File:Locproj-c-4.png Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using LOCPROJ against ab-initio data. current
- 09:4609:46, 9 February 2024 diff hist +2 m Wannier orbitals from VASP →Example - diamond
- 09:4309:43, 9 February 2024 diff hist +1,212 Wannier orbitals from VASP →Example - diamond: Add diamond example for LOCPROJ
- 09:2909:29, 9 February 2024 diff hist +4,035 Wannier orbitals from VASP Add start of LOCPROJ section
8 February 2024
- 22:2422:24, 8 February 2024 diff hist +28 m Wannier orbitals from VASP No edit summary
- 22:1722:17, 8 February 2024 diff hist +12 m Wannier orbitals from VASP No edit summary
- 21:5021:50, 8 February 2024 diff hist −6 m Wannier orbitals from VASP →One-shot Wannierization using a singular-value decomposition (SVD)
- 21:4721:47, 8 February 2024 diff hist +15,247 N Wannier orbitals from VASP Start refactoring the page so that it combines LOCPROJ and SCDM into one. This makes more sense as the overlap between the two methods is just too large.
- 21:2021:20, 8 February 2024 diff hist +2 m Category:Wannier functions →One-shot single value decomposition (SVD) current
- 19:2819:28, 8 February 2024 diff hist −44 m Construction:SCDM method proof reading current
- 16:3116:31, 8 February 2024 diff hist +2 m Construction:SCDM method →Basics
- 16:3016:30, 8 February 2024 diff hist −12 m Construction:SCDM method →SCDM and wannier90
- 16:2316:23, 8 February 2024 diff hist +235 Construction:SCDM method →Basics: improve basics section
- 16:0916:09, 8 February 2024 diff hist +308 Construction:SCDM method →SCDM and wannier90: Add bug warning about exclude_bands
- 16:0216:02, 8 February 2024 diff hist +2,294 Construction:SCDM method Add comparison with LOCPROJ
- 15:3115:31, 8 February 2024 diff hist +1,735 Construction:SCDM method →SCDM and Wannier90: Extend wannier90 section
- 14:5414:54, 8 February 2024 diff hist +1,423 Construction:SCDM method Add small example discussion for LiF and start wannier90 section
- 14:2714:27, 8 February 2024 diff hist +1,327 Construction:SCDM method Add more text to LiF example
- 14:0014:00, 8 February 2024 diff hist +435 Construction:SCDM method Add LiF example and results
- 13:5713:57, 8 February 2024 diff hist 0 File:Scdm-bands-lif-disentangle.png Mani uploaded a new version of File:Scdm-bands-lif-disentangle.png current
- 13:5313:53, 8 February 2024 diff hist 0 File:Scdm-bands-lif-disentangle.png Mani uploaded a new version of File:Scdm-bands-lif-disentangle.png
- 13:4313:43, 8 February 2024 diff hist +102 N File:Scdm-bands-lif-disentangle.png Band structure of LiF comparing Wannier interpolation using SCDM against ab-initio data.
- 13:0713:07, 8 February 2024 diff hist +1,584 Construction:SCDM method Add disentanglement section
- 12:3412:34, 8 February 2024 diff hist +36 Construction:SCDM method Add results of diamond example
- 12:3412:34, 8 February 2024 diff hist 0 File:Scdm-bands-c-4.png Mani uploaded a new version of File:Scdm-bands-c-4.png
- 12:1612:16, 8 February 2024 diff hist +153 N File:Scdm-bands-c-4.png Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using SCDM against ab-initio data.
- 11:0711:07, 8 February 2024 diff hist +153 N File:Scdm-bands-c-4.pdf Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using SCDM against ab-initio data. current
- 10:5910:59, 8 February 2024 diff hist +343 Construction:SCDM method Add more progress
- 10:4710:47, 8 February 2024 diff hist +2,438 N Construction:SCDM method First progress on page
7 February 2024
- 10:2010:20, 7 February 2024 diff hist +1 Category:Wannier functions Update reference
- 10:2010:20, 7 February 2024 diff hist +2 LSCDM Update reference current
- 10:1910:19, 7 February 2024 diff hist +2 Template:Cite Update scdm reference
6 February 2024
- 16:0516:05, 6 February 2024 diff hist −6 ISIF Use more TAGO current
- 15:5115:51, 6 February 2024 diff hist +2 ISIF Fix broken wiki links and use TAGO template
31 January 2024
- 16:0916:09, 31 January 2024 diff hist +2 PSTRESS Add default value for PSTRESS current
16 August 2023
- 07:5707:57, 16 August 2023 diff hist +182 PHON G CUTOFF Update the description and default value Tag: Visual edit: Switched
21 July 2023
- 12:1612:16, 21 July 2023 diff hist 0 Known issues Update known issues after 6.4.2 Tag: Visual edit: Switched
15 May 2023
- 14:4614:46, 15 May 2023 diff hist +441 Known issues Add issue: wannier90 interface Tag: Visual edit
9 April 2019
- 08:4808:48, 9 April 2019 diff hist −6 m Phonons from finite differences No edit summary
30 July 2018
- 14:3514:35, 30 July 2018 diff hist +34 Lattice Dynamics - Tutorial No edit summary
- 14:3514:35, 30 July 2018 diff hist +34 Template:Lattice Dynamics - Tutorial No edit summary
- 14:3414:34, 30 July 2018 diff hist +12 Template:Lattice Dynamics - Tutorial No edit summary
- 14:3314:33, 30 July 2018 diff hist +12 Lattice Dynamics - Tutorial No edit summary
21 June 2018
- 11:0311:03, 21 June 2018 diff hist 0 Angular functions No edit summary current