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  1. .gitattributes +36 -0
  2. 1_data_prepare/band_compare_sc.png +3 -0
  3. 1_data_prepare/band_compare_uc.png +3 -0
  4. 1_data_prepare/data/disp-17/reconstruction/aohamiltonian/hamiltonians.h5 +3 -0
  5. 1_data_prepare/data/disp-17/reconstruction/aohamiltonian/overlaps.h5 +3 -0
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  11. 1_data_prepare/data/disp-28/reconstruction/aohamiltonian/overlaps.h5 +3 -0
  12. 1_data_prepare/data/disp-28/reconstruction/aohamiltonian/rc.h5 +3 -0
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  15. 1_data_prepare/data/disp-28/scf/diamond.save/charge-density.dat +3 -0
  16. 1_data_prepare/data/disp-28/scf/diamond.save/wfc1.dat +3 -0
  17. 1_data_prepare/data/disp-28/scf/diamond.save/wfc10.dat +3 -0
  18. 1_data_prepare/data/disp-28/scf/diamond.save/wfc11.dat +3 -0
  19. 1_data_prepare/data/disp-28/scf/diamond.save/wfc12.dat +3 -0
  20. 1_data_prepare/data/disp-28/scf/diamond.save/wfc13.dat +3 -0
  21. 1_data_prepare/data/disp-28/scf/diamond.save/wfc14.dat +3 -0
  22. 1_data_prepare/data/disp-28/scf/diamond.save/wfc2.dat +3 -0
  23. 1_data_prepare/data/disp-28/scf/diamond.save/wfc3.dat +3 -0
  24. 1_data_prepare/data/disp-28/scf/diamond.save/wfc4.dat +3 -0
  25. 1_data_prepare/data/disp-28/scf/diamond.save/wfc5.dat +3 -0
  26. 1_data_prepare/data/disp-28/scf/diamond.save/wfc6.dat +3 -0
  27. 1_data_prepare/data/disp-28/scf/diamond.save/wfc7.dat +3 -0
  28. 1_data_prepare/data/disp-28/scf/diamond.save/wfc8.dat +3 -0
  29. 1_data_prepare/data/disp-28/scf/diamond.save/wfc9.dat +3 -0
  30. 1_data_prepare/data/disp-50/reconstruction/aohamiltonian/hamiltonians.h5 +3 -0
  31. 1_data_prepare/data/disp-50/reconstruction/aohamiltonian/overlaps.h5 +3 -0
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  37. 1_data_prepare/data/disp-50/scf/diamond.save/wfc10.dat +3 -0
  38. 1_data_prepare/data/disp-50/scf/diamond.save/wfc11.dat +3 -0
  39. 1_data_prepare/data/disp-50/scf/diamond.save/wfc12.dat +3 -0
  40. 1_data_prepare/data/disp-50/scf/diamond.save/wfc13.dat +3 -0
  41. 1_data_prepare/data/disp-50/scf/diamond.save/wfc14.dat +3 -0
  42. 1_data_prepare/data/disp-50/scf/diamond.save/wfc2.dat +3 -0
  43. 1_data_prepare/data/disp-50/scf/diamond.save/wfc3.dat +3 -0
  44. 1_data_prepare/data/disp-50/scf/diamond.save/wfc4.dat +3 -0
  45. 1_data_prepare/data/disp-50/scf/diamond.save/wfc5.dat +3 -0
  46. 1_data_prepare/data/disp-50/scf/diamond.save/wfc6.dat +3 -0
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