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: [[[[ 0.52749193 -0.00000008 0.00000001 -0.00000001 -0. ]
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[-0.00000008 0.52749483 0.00000001 -0.00000002 -0.00000001]
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[ 0.00000001 0.00000001 0.54605781 -0. -0.00000005]
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[-0.00000001 -0.00000002 -0. 0.52754354 -0.00000001]
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[-0. -0.00000001 -0.00000005 -0.00000001 0.54512648]]
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[[ 0.53329644 -0.00000001 0.00000001 0.00000001 0. ]
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[-0.00000001 0.53328545 0. -0.00000009 -0.00000001]
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[ 0.00000001 0. 0.54606967 -0. 0.00000005]
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[ 0.00000001 -0.00000009 -0. 0.53323625 -0. ]
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[ 0. -0.00000001 0.00000005 -0. 0.54513838]]]]
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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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