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Datasets:
atomology
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WannierDatasets

Tags:
physics
Wannier functions
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qiaojunfeng commited on
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0a32404
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1 Parent(s): 19ed6cf

Rename folders

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  1. datasets/BN/{generator → inputs}/.gitignore +0 -0
  2. datasets/BN/{generator → inputs}/LGXKG.txt +0 -0
  3. datasets/BN/{generator → inputs}/epw1.in +0 -0
  4. datasets/BN/{generator → inputs}/epw2.in +0 -0
  5. datasets/BN/{generator → inputs}/nscf.in +0 -0
  6. datasets/BN/{generator → inputs}/p2w.in +0 -0
  7. datasets/BN/{generator → inputs}/ph.in +0 -0
  8. datasets/BN/{generator → inputs}/quadrupole.fmt +0 -0
  9. datasets/BN/{generator → inputs}/run.sh +0 -0
  10. datasets/BN/{generator → inputs}/scf.in +0 -0
  11. datasets/BN/{generator → inputs}/scf.out +0 -0
  12. datasets/BN/{reference → outputs}/README.md +1 -1
  13. datasets/BN/{reference → outputs}/bn.chk +0 -0
  14. datasets/BN/{reference → outputs}/bn.mmn +0 -0
  15. datasets/BN/{reference → outputs}/bn.ukk +0 -0
  16. datasets/BN/{reference → outputs}/bn.wout +0 -0
  17. datasets/BN/{reference → outputs}/bn.xml +0 -0
  18. datasets/CrI3/generator/.gitignore +0 -2
  19. datasets/CrI3/{generator → inputs}/CrI3_dn.nnkp +0 -0
  20. datasets/CrI3/{generator → inputs}/CrI3_up.nnkp +0 -0
  21. datasets/CrI3/{generator → inputs}/CrI3_updn.nnkp +0 -0
  22. datasets/CrI3/{generator → inputs}/bands.in +0 -0
  23. datasets/CrI3/{generator → inputs}/nscf.in +0 -0
  24. datasets/CrI3/{generator → inputs}/p2w_dn.in +0 -0
  25. datasets/CrI3/{generator → inputs}/p2w_mud.in +0 -0
  26. datasets/CrI3/{generator → inputs}/p2w_up.in +0 -0
  27. datasets/CrI3/{generator → inputs}/run.fish +0 -0
  28. datasets/CrI3/{generator → inputs}/scf.in +0 -0
  29. datasets/CrI3/{reference → outputs}/qe_bands.xml +0 -0
  30. datasets/Cu/{generator → inputs}/bands.in +0 -0
  31. datasets/Cu/{generator → inputs}/bandsx.in +0 -0
  32. datasets/Cu/{generator → inputs}/nscf.in +0 -0
  33. datasets/Cu/{generator → inputs}/p2w.in +0 -0
  34. datasets/Cu/{generator → inputs}/run.sh +0 -0
  35. datasets/Cu/{generator → inputs}/scf.in +0 -0
  36. datasets/Cu/{reference → outputs}/Cu.bxsf +0 -0
  37. datasets/Cu/{reference → outputs}/qe_bands.dat +0 -0
  38. datasets/Cu/{reference → outputs}/qe_bands.dat.gnu +0 -0
  39. datasets/Cu/{reference → outputs}/qe_bands.dat.rap +0 -0
  40. datasets/CuBr2/{generator → inputs}/CuBr2_nn.nnkp +0 -0
  41. datasets/CuBr2/{generator → inputs}/bands.in +0 -0
  42. datasets/CuBr2/{generator → inputs}/bandsx.in +0 -0
  43. datasets/CuBr2/{generator → inputs}/nscf.in +0 -0
  44. datasets/CuBr2/{generator → inputs}/p2w.in +0 -0
  45. datasets/CuBr2/{generator → inputs}/p2w_nn.in +0 -0
  46. datasets/CuBr2/{generator → inputs}/run.sh +0 -0
  47. datasets/CuBr2/{generator → inputs}/scf.in +0 -0
  48. datasets/CuBr2/{reference → outputs}/qe_bands.dat +0 -0
  49. datasets/CuBr2/{reference → outputs}/qe_bands.dat.gnu +0 -0
  50. datasets/CuBr2/{reference → outputs}/qe_bands.dat.rap +0 -0
datasets/BN/{generator → inputs}/.gitignore RENAMED
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datasets/BN/{generator → inputs}/LGXKG.txt RENAMED
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datasets/BN/{generator → inputs}/epw1.in RENAMED
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datasets/BN/{generator → inputs}/epw2.in RENAMED
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datasets/BN/{generator → inputs}/nscf.in RENAMED
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datasets/BN/{generator → inputs}/p2w.in RENAMED
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datasets/BN/{generator → inputs}/ph.in RENAMED
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datasets/BN/{generator → inputs}/quadrupole.fmt RENAMED
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datasets/BN/{generator → inputs}/run.sh RENAMED
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datasets/BN/{generator → inputs}/scf.in RENAMED
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datasets/BN/{generator → inputs}/scf.out RENAMED
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datasets/BN/{reference → outputs}/README.md RENAMED
@@ -1,7 +1,7 @@
1
  EPW example copied from
2
  <https://github.com/wannier-developers/wannier-tutorials/tree/master/2022_05_Trieste/DAY5_PM_2_EPW/exercise1>
3
 
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- The following files are generated by EPW with input file `../generator/epw1.in`
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  - `bn.ukk`
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  - `bn.mmn` (note in the parent folder, the `BN.mmn` is generated by `pw2wannier90.x`)
 
1
  EPW example copied from
2
  <https://github.com/wannier-developers/wannier-tutorials/tree/master/2022_05_Trieste/DAY5_PM_2_EPW/exercise1>
3
 
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+ The following files are generated by EPW with input file `../inputs/epw1.in`
5
 
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  - `bn.ukk`
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  - `bn.mmn` (note in the parent folder, the `BN.mmn` is generated by `pw2wannier90.x`)
datasets/BN/{reference → outputs}/bn.chk RENAMED
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datasets/BN/{reference → outputs}/bn.mmn RENAMED
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datasets/BN/{reference → outputs}/bn.ukk RENAMED
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datasets/BN/{reference → outputs}/bn.wout RENAMED
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datasets/BN/{reference → outputs}/bn.xml RENAMED
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datasets/CrI3/generator/.gitignore DELETED
@@ -1,2 +0,0 @@
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- # force add nnkp for the pw2wannier90 step
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- !*.nnkp
 
 
 
datasets/CrI3/{generator → inputs}/CrI3_dn.nnkp RENAMED
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datasets/CrI3/{generator → inputs}/CrI3_up.nnkp RENAMED
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datasets/CrI3/{generator → inputs}/CrI3_updn.nnkp RENAMED
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datasets/CrI3/{generator → inputs}/bands.in RENAMED
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datasets/CrI3/{generator → inputs}/nscf.in RENAMED
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datasets/CrI3/{generator → inputs}/p2w_dn.in RENAMED
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datasets/CrI3/{generator → inputs}/p2w_mud.in RENAMED
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datasets/CrI3/{generator → inputs}/p2w_up.in RENAMED
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datasets/CrI3/{generator → inputs}/run.fish RENAMED
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datasets/CrI3/{generator → inputs}/scf.in RENAMED
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datasets/CrI3/{reference → outputs}/qe_bands.xml RENAMED
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datasets/Cu/{generator → inputs}/bands.in RENAMED
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datasets/Cu/{generator → inputs}/bandsx.in RENAMED
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datasets/Cu/{generator → inputs}/nscf.in RENAMED
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datasets/Cu/{generator → inputs}/p2w.in RENAMED
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datasets/Cu/{generator → inputs}/run.sh RENAMED
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datasets/Cu/{generator → inputs}/scf.in RENAMED
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datasets/Cu/{reference → outputs}/Cu.bxsf RENAMED
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datasets/Cu/{reference → outputs}/qe_bands.dat RENAMED
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datasets/Cu/{reference → outputs}/qe_bands.dat.gnu RENAMED
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datasets/Cu/{reference → outputs}/qe_bands.dat.rap RENAMED
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datasets/CuBr2/{generator → inputs}/CuBr2_nn.nnkp RENAMED
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datasets/CuBr2/{generator → inputs}/bands.in RENAMED
File without changes
datasets/CuBr2/{generator → inputs}/bandsx.in RENAMED
File without changes
datasets/CuBr2/{generator → inputs}/nscf.in RENAMED
File without changes
datasets/CuBr2/{generator → inputs}/p2w.in RENAMED
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datasets/CuBr2/{generator → inputs}/p2w_nn.in RENAMED
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datasets/CuBr2/{generator → inputs}/run.sh RENAMED
File without changes
datasets/CuBr2/{generator → inputs}/scf.in RENAMED
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datasets/CuBr2/{reference → outputs}/qe_bands.dat RENAMED
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datasets/CuBr2/{reference → outputs}/qe_bands.dat.gnu RENAMED
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datasets/CuBr2/{reference → outputs}/qe_bands.dat.rap RENAMED
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