mirror of
https://github.com/triqs/dft_tools
synced 2024-06-30 00:44:34 +02:00
23 lines
942 B
Plaintext
23 lines
942 B
Plaintext
density matrix: [[[[ 0.47525736 0. -0. -0.00000002 0. ]
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[ 0. 0.47423693 0.00000001 0.00000002 -0.00000001]
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[-0. 0.00000001 0.48431167 -0. -0.0000001 ]
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[-0.00000002 0.00000002 -0. 0.47433385 -0. ]
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[ 0. -0.00000001 -0.0000001 -0. 0.48394721]]
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[[ 0.47456722 0.00000001 0. 0.00000001 -0. ]
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[ 0.00000001 0.47351901 0. -0. -0.00000001]
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[ 0. 0. 0.4843115 0. 0.00000009]
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[ 0.00000001 -0. 0. 0.47342511 0. ]
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[-0. -0.00000001 0.00000009 0. 0.48394732]]]]
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overlap matrix: [[[[ 1. 0. 0. 0. 0.]
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[ 0. 1. -0. 0. -0.]
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[ 0. -0. 1. -0. -0.]
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[ 0. 0. -0. 1. 0.]
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[ 0. -0. -0. 0. 1.]]
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[[ 1. -0. -0. 0. -0.]
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[-0. 1. -0. 0. -0.]
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[-0. -0. 1. -0. 0.]
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[ 0. 0. -0. 1. 0.]
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[-0. -0. 0. 0. 1.]]]]
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