mirror of
https://github.com/triqs/dft_tools
synced 2024-08-17 17:51:44 +02:00
5170 lines
152 KiB
Plaintext
Executable File
5170 lines
152 KiB
Plaintext
Executable File
File written on 6Jan2022 at 14:48:57
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calc_only_A : F
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begin real_lattice
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3.7700000 0.0000000 0.0000000
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0.0000000 3.8420900 0.0000000
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0.0000000 0.0000000 3.9600000
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end real_lattice
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begin recip_lattice
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1.6666274 0.0000000 0.0000000
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0.0000000 1.6353561 0.0000000
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0.0000000 0.0000000 1.5866630
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end recip_lattice
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begin kpoints
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end kpoints
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begin projections
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14
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0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
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0.50000 0.50000 0.50000 2 3 1
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0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.50000 0.50000 2 5 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.50000 0.50000 2 1 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.50000 0.50000 2 4 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.50000 0.00000 1 1 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.50000 0.00000 1 2 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.50000 0.00000 1 3 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.00000 0.50000 0.50000 1 1 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.00000 0.50000 0.50000 1 2 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.00000 0.50000 0.50000 1 3 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.00000 0.50000 1 1 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.00000 0.50000 1 2 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
0.50000 0.00000 0.50000 1 3 1
|
|
0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
|
|
end projections
|
|
|
|
begin nnkpts
|
|
6
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715 712 0 0 1
|
|
715 684 0 0 0
|
|
715 710 0 1 0
|
|
715 708 0 0 0
|
|
715 722 0 0 0
|
|
716 579 0 0 0
|
|
716 717 0 0 -1
|
|
716 685 0 0 0
|
|
716 719 0 -1 0
|
|
716 709 0 0 0
|
|
716 723 0 0 0
|
|
717 580 0 0 0
|
|
717 716 0 0 1
|
|
717 686 0 0 0
|
|
717 722 0 -1 0
|
|
717 710 0 0 0
|
|
717 724 0 0 0
|
|
718 581 0 0 0
|
|
718 124 0 0 -1
|
|
718 687 0 0 0
|
|
718 721 0 1 0
|
|
718 711 0 0 0
|
|
718 725 0 0 0
|
|
719 582 0 0 0
|
|
719 722 0 0 -1
|
|
719 688 0 0 0
|
|
719 716 0 1 0
|
|
719 712 0 0 0
|
|
719 726 0 0 0
|
|
720 583 0 0 0
|
|
720 721 0 0 1
|
|
720 689 0 0 0
|
|
720 124 0 -1 0
|
|
720 713 0 0 0
|
|
720 727 0 0 0
|
|
721 584 0 0 0
|
|
721 720 0 0 -1
|
|
721 690 0 0 0
|
|
721 718 0 -1 0
|
|
721 714 0 0 0
|
|
721 728 0 0 0
|
|
722 585 0 0 0
|
|
722 719 0 0 1
|
|
722 691 0 0 0
|
|
722 717 0 1 0
|
|
722 715 0 0 0
|
|
722 729 0 0 0
|
|
723 586 0 0 0
|
|
723 724 0 0 -1
|
|
723 692 0 0 0
|
|
723 726 0 -1 0
|
|
723 716 0 0 0
|
|
723 728 -1 0 0
|
|
724 587 0 0 0
|
|
724 723 0 0 1
|
|
724 693 0 0 0
|
|
724 729 0 -1 0
|
|
724 717 0 0 0
|
|
724 727 -1 0 0
|
|
725 588 0 0 0
|
|
725 125 0 0 -1
|
|
725 694 0 0 0
|
|
725 728 0 1 0
|
|
725 718 0 0 0
|
|
725 726 1 0 0
|
|
726 589 0 0 0
|
|
726 729 0 0 -1
|
|
726 695 0 0 0
|
|
726 723 0 1 0
|
|
726 719 0 0 0
|
|
726 725 -1 0 0
|
|
727 590 0 0 0
|
|
727 728 0 0 1
|
|
727 696 0 0 0
|
|
727 125 0 -1 0
|
|
727 720 0 0 0
|
|
727 724 1 0 0
|
|
728 591 0 0 0
|
|
728 727 0 0 -1
|
|
728 697 0 0 0
|
|
728 725 0 -1 0
|
|
728 721 0 0 0
|
|
728 723 1 0 0
|
|
729 592 0 0 0
|
|
729 726 0 0 1
|
|
729 698 0 0 0
|
|
729 724 0 1 0
|
|
729 722 0 0 0
|
|
729 125 -1 0 0
|
|
end nnkpts
|
|
|
|
begin exclude_bands
|
|
7
|
|
1
|
|
2
|
|
3
|
|
4
|
|
5
|
|
6
|
|
7
|
|
end exclude_bands
|