User contributions for Mani
29 May 2024
- 14:4614:46, 29 May 2024 diff hist +2 m Electron-phonon potential from supercells →Finite displacements in the supercell
- 14:4514:45, 29 May 2024 diff hist +605 Electron-phonon potential from supercells →VASP and phelel: Add more info on how to use phelel
- 14:2814:28, 29 May 2024 diff hist +1,357 Electron-phonon potential from supercells →VASP and phelel: Add info to VASP+phelel
- 13:1513:15, 29 May 2024 diff hist +42 Electron-phonon potential from supercells →VASP internal driver
- 13:1013:10, 29 May 2024 diff hist +697 Electron-phonon potential from supercells →VASP internal driver: Add more primitive cell info and new FFT info
- 11:0511:05, 29 May 2024 diff hist +863 Electron-phonon potential from supercells →VASP internal driver: Add POSCAR snippet for primitive cell
- 09:1809:18, 29 May 2024 diff hist +108 Electron-phonon potential from supercells Move velph info into tip at the beginning
24 May 2024
- 13:4013:40, 24 May 2024 diff hist +18 m Electron-phonon potential from supercells →Finite displacements in the supercell
- 13:3613:36, 24 May 2024 diff hist +1,083 Electron-phonon potential from supercells →VASP internal driver: Add more information for internal driver
23 May 2024
- 16:0116:01, 23 May 2024 diff hist +1,559 Electron-phonon potential from supercells Add info on phelel, phelel_params, velph and a few sentences on the internal driver
- 15:0815:08, 23 May 2024 diff hist +209 Electron-phonon potential from supercells Add more info about supercell size and hint at polar corrections
- 14:4414:44, 23 May 2024 diff hist +1,454 N Electron-phonon potential from supercells Add general introduction and a few words about finite displacements in the supercell
17 May 2024
- 11:5211:52, 17 May 2024 diff hist +17 Constructing Wannier orbitals →Related tags and articles: Add LOCPROJ to related tags
- 11:5111:51, 17 May 2024 diff hist +126 Category:Wannier functions Add link to Wannierization how-to page
- 11:4711:47, 17 May 2024 diff hist 0 m Category:Wannier functions Fix typo Tag: Visual edit: Switched
- 11:4611:46, 17 May 2024 diff hist +43 N Wannier orbitals from VASP Mani moved page Wannier orbitals from VASP to Constructing Wannier orbitals current Tag: New redirect
- 11:4611:46, 17 May 2024 diff hist 0 m Constructing Wannier orbitals Mani moved page Wannier orbitals from VASP to Constructing Wannier orbitals
21 March 2024
- 10:2410:24, 21 March 2024 diff hist −193 Constructing Wannier orbitals →Wannier90: Remove warning
- 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 Constructing Wannier orbitals →SCDM and Wannier90: Make more general
- 10:2810:28, 9 February 2024 diff hist −54 Constructing Wannier orbitals Update difference section and fix some wording
- 10:1710:17, 9 February 2024 diff hist −1,271 Constructing Wannier orbitals →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 Constructing Wannier orbitals →Example - diamond: remove speculation
- 10:0210:02, 9 February 2024 diff hist +2,153 Constructing Wannier orbitals →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 Constructing Wannier orbitals →Example - diamond
- 09:4309:43, 9 February 2024 diff hist +1,212 Constructing Wannier orbitals →Example - diamond: Add diamond example for LOCPROJ
- 09:2909:29, 9 February 2024 diff hist +4,035 Constructing Wannier orbitals Add start of LOCPROJ section
8 February 2024
- 22:2422:24, 8 February 2024 diff hist +28 m Constructing Wannier orbitals No edit summary
- 22:1722:17, 8 February 2024 diff hist +12 m Constructing Wannier orbitals No edit summary
- 21:5021:50, 8 February 2024 diff hist −6 m Constructing Wannier orbitals →One-shot Wannierization using a singular-value decomposition (SVD)
- 21:4721:47, 8 February 2024 diff hist +15,247 N Constructing Wannier orbitals 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)
- 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