User contributions for Mani

9 February 2024

• 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
• 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
• 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

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