Commits · dfpt_film_local_stars · fleur / fleur · GitLab

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Mar 31, 2025
- Merge branch 'dfpt_film_local_stars' of iffgit.fz-juelich.de:fleur/fleur into dfpt_film_local_stars · 37d044f9
  Thomas Bornhake authored 1 week ago
  
  37d044f9
- Update Potential Generation for DFPT Film. Symmetrize behavior in vacua... · 22ff02b4
  Thomas Bornhake authored 1 week ago
  
  Update Potential Generation for DFPT Film. Symmetrize behavior in vacua regions. Disable previous corrections.
  22ff02b4
Mar 12, 2025
- Change small fmt style in dfpt_dynmat. · 54a787e5
  Thomas Bornhake authored 3 weeks ago
  
  54a787e5
Feb 28, 2025
- Correct small typo in fft of pw potential on vacua boundary in dfpt_dynmat. · 38554a4d
  Thomas Bornhake authored 1 month ago
  
  38554a4d
- Partially revert commit 927ed930 · 66f7b839
  Thomas Bornhake authored 1 month ago
  
  66f7b839
- Remove unnecessary variable for e-field correction. Bind the correction to iDtype now. · 927ed930
  Thomas Bornhake authored 1 month ago
  
  927ed930
- Introduce option to symmetrize vacua level for perturbed potentials in vacua regions for dfpt_vgen · 6ac75364
  Thomas Bornhake authored 1 month ago
  
  6ac75364
Feb 24, 2025
- Correct Direction of the VAC-IR surface terms. · 454a46f8
  Thomas Bornhake authored 1 month ago
  
  454a46f8
- Add Surface Correction IR-VAC boundary to dfpt_dynmat · 12fd5070
  Thomas Bornhake authored 1 month ago
  
  12fd5070
Feb 04, 2025
- Remove the drift force (appears e.g. with efield in film mode ) · 92a200ad
  Thomas Bornhake authored 2 months ago
  
  92a200ad
Jan 30, 2025
- Feature: Introduce Electric Field for DFPT in Film-Setup. · bf33e815
  Thomas Bornhake authored 2 months ago
  
  bf33e815
- Introduce formating for the textfiles of the integrals · e2e8d575
  Thomas Bornhake authored 2 months ago
  
  e2e8d575
- Introduce reference dynmat to which sumrule is applied. Useful if Gamma-Point is broken. · 523b87e9
  Thomas Bornhake authored 2 months ago
  
  523b87e9
Jan 15, 2025
- If only I could write and read. Correction to last commit. Wrong variable name · 60e5ca19
  Thomas Bornhake authored 2 months ago
  
  60e5ca19
- First Step for Efield in Film-System. Incorporate git push 16f3c134 of develop into this branch · d1da09f1
  Thomas Bornhake authored 2 months ago
  
  d1da09f1
- Remove double setting of vacuum parameters · 93b85e13
  Thomas Bornhake authored 2 months ago
  
  93b85e13
Aug 20, 2024
- Incorporate the q=0 fixes also into the film-code · 77c447b2
  Thomas Bornhake authored 7 months ago
  
  77c447b2
May 13, 2024
- Merge branch 'dfpt_film_local_stars' of... · bf19258a
  Thomas Bornhake authored 10 months ago
  
  Merge branch 'dfpt_film_local_stars' of https://iffgit.fz-juelich.de/fleur/fleur into dfpt_film_local_stars
  bf19258a
- Remove unused and old code blocks. Correction has been replaced · 9942f5aa
  Thomas Bornhake authored 10 months ago
  
  9942f5aa
Apr 29, 2024
- These features are currently not working. Need further debugging · 6ed091a4
  Thomas Bornhake authored 11 months ago
  
  6ed091a4
Apr 18, 2024
- Remove unintentional stop · 7f3beb2c
  Thomas Bornhake authored 11 months ago
  
  7f3beb2c
- Introduce first subroutines for el-ph. Experimental · 8654b78d
  Thomas Bornhake authored 11 months ago
  
  8654b78d
- Introduce electron-phonon matrix switch · 1bbcb7b9
  Thomas Bornhake authored 11 months ago
  
  1bbcb7b9
Apr 17, 2024
- Introduce local stars for Vext, speed up film calculation. Huge Commit · 4382755c
  Thomas Bornhake authored 11 months ago
  
  4382755c
Mar 22, 2024
- Merge branch 'dir-restruct' into 'develop' · 91aa05a6
  Daniel Wortmann authored 1 year ago
  
  Repo layout restructured See merge request fleur/fleur!238
  91aa05a6
- Repo layout restructured · 609a9458
  Daniel Wortmann authored 1 year ago
  
  609a9458
Mar 20, 2024
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · f356dcb5
  Daniel Wortmann authored 1 year ago
  
  f356dcb5
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · a837ab7f
  Friedrich Hanrath authored 1 year ago
  
  a837ab7f
- Would have been so nice if that worked instantly. · ba2894e2
  Alexander Neukirchen authored 1 year ago
  
  ba2894e2
- More phonon switch in Sternheimer · 1d3a0bdf
  Friedrich Hanrath authored 1 year ago
  
  1d3a0bdf
- Merge · 5a8df978
  Friedrich Hanrath authored 1 year ago
  
  5a8df978
- Add phonon correction switch to mt_moments (uff) · fccd81a4
  Friedrich Hanrath authored 1 year ago
  
  fccd81a4
- Fix new switch for BEC · 5c88b034
  Friedrich Hanrath authored 1 year ago
  
  5c88b034
- Add phonon correction switch to dfpt_cdnval (MT) · e43bd91a
  Friedrich Hanrath authored 1 year ago
  
  e43bd91a
- Add phonon correction switch to dfpt_vgen_finalize · a8e7f6c8
  Friedrich Hanrath authored 1 year ago
  
  a8e7f6c8
- Add phonon correction switch to dfpt_hsint · 77fadd94
  Friedrich Hanrath authored 1 year ago
  
  77fadd94
- Add phonon correction switch to dfpt_hsmt · 46476d26
  Friedrich Hanrath authored 1 year ago
  
  46476d26
- Introduced new switches dor DFPT. · 56f4d1df
  Friedrich Hanrath authored 1 year ago
  
  56f4d1df
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 28e038ef
  Daniel Wortmann authored 1 year ago
  
  View commits for tag MaX-R7.1 MaX-R7.1
  
  28e038ef
- Correct bencher version · d7668df5
  Daniel Wortmann authored 1 year ago
  
  d7668df5