mirror of https://gitlab.com/QEF/q-e.git
112 lines
3.1 KiB
Plaintext
112 lines
3.1 KiB
Plaintext
File written on 6Feb2025 at 16:32:13
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calc_only_A : F
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begin real_lattice
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-2.7154998 0.0000000 2.7154998
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0.0000000 2.7154998 2.7154998
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-2.7154998 2.7154998 0.0000000
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end real_lattice
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begin recip_lattice
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-1.1569114 -1.1569114 1.1569114
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1.1569114 1.1569114 1.1569114
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-1.1569114 1.1569114 -1.1569114
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end recip_lattice
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begin kpoints
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8
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0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.50000000
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0.00000000 0.50000000 0.00000000
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0.00000000 0.50000000 0.50000000
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0.50000000 0.00000000 0.00000000
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0.50000000 0.00000000 0.50000000
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0.50000000 0.50000000 0.00000000
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0.50000000 0.50000000 0.50000000
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end kpoints
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begin projections
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4
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0.00000 0.00000 0.00000 -3 1 1
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0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
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0.00000 0.00000 0.00000 -3 2 1
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0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
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0.00000 0.00000 0.00000 -3 3 1
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0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
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0.00000 0.00000 0.00000 -3 4 1
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0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 1.00
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end projections
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begin nnkpts
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8
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1 2 0 0 0
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1 3 0 0 0
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1 5 0 0 0
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1 8 0 0 0
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1 2 0 0 -1
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1 3 0 -1 0
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1 5 -1 0 0
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1 8 -1 -1 -1
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2 1 0 0 0
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2 4 0 0 0
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2 6 0 0 0
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2 1 0 0 1
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2 7 0 0 1
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2 4 0 -1 0
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2 6 -1 0 0
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2 7 -1 -1 0
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3 1 0 0 0
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3 4 0 0 0
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3 7 0 0 0
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3 1 0 1 0
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3 6 0 1 0
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3 4 0 0 -1
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3 7 -1 0 0
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3 6 -1 0 -1
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4 2 0 0 0
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4 3 0 0 0
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4 8 0 0 0
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4 2 0 1 0
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4 3 0 0 1
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4 5 -1 0 0
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4 8 -1 0 0
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4 5 0 1 1
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5 1 0 0 0
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5 6 0 0 0
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5 7 0 0 0
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5 1 1 0 0
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5 4 1 0 0
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5 6 0 0 -1
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5 7 0 -1 0
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5 4 0 -1 -1
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6 2 0 0 0
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6 5 0 0 0
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6 8 0 0 0
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6 2 1 0 0
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6 5 0 0 1
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6 3 0 -1 0
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6 8 0 -1 0
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6 3 1 0 1
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7 3 0 0 0
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7 5 0 0 0
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7 8 0 0 0
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7 3 1 0 0
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7 5 0 1 0
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7 2 0 0 -1
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7 8 0 0 -1
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7 2 1 1 0
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8 1 0 0 0
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8 4 0 0 0
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8 6 0 0 0
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8 7 0 0 0
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8 1 1 1 1
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8 4 1 0 0
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8 6 0 1 0
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8 7 0 0 1
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end nnkpts
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begin exclude_bands
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0
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end exclude_bands
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