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