mirror of
https://github.com/triqs/dft_tools
synced 2024-06-02 03:15:33 +02:00
23 lines
942 B
Plaintext
23 lines
942 B
Plaintext
density matrix: [[[[ 0.50361386 0.01210591 -0.00005976 0.00166392 -0.00001898]
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[ 0.01210591 0.48889987 0.00001956 -0.00197949 -0.00001589]
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[-0.00005976 0.00001956 0.48077169 0.00006637 -0.00003311]
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[ 0.00166392 -0.00197949 0.00006637 0.43066013 0.0001357 ]
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[-0.00001898 -0.00001589 -0.00003311 0.0001357 0.48025246]]
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[[ 0.5060551 0.00758141 -0.00005402 0.00663632 -0.00001664]
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[ 0.00758141 0.47773011 0.00003639 -0.01034786 -0.00004147]
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[-0.00005402 0.00003639 0.48077119 0.0000735 -0.00000922]
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[ 0.00663632 -0.01034786 0.0000735 0.43934266 0.00013596]
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[-0.00001664 -0.00004147 -0.00000922 0.00013596 0.48024702]]]]
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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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