mirror of https://gitlab.com/QEF/q-e.git
503 lines
35 KiB
Plaintext
503 lines
35 KiB
Plaintext
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=-------------------------------------------------------------------=
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Hubbard U parameters:
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site n. type label spin new_type new_label Hubbard U (eV)
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1 1 Mn 1 1 Mn 5.0202
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2 2 Ni 0 2 Ni 8.3475
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3 2 Ni 0 2 Ni 8.3475
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=-------------------------------------------------------------------=
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chi0 matrix :
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-0.775637 0.018644 0.018644 0.025382 0.018644 0.032475 0.025382 0.032475
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0.018644 0.031714 0.032475 0.032475 0.025382 0.032475 0.032475 0.025382
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0.018644 0.032475 0.025382 0.032475 0.018644 0.025382 0.018644 0.018644
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0.018644 -0.881413 0.016709 0.018644 0.045832 0.016709 0.032475 0.045832
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0.016709 0.032475 0.071045 0.016709 0.032475 0.045832 0.020057 0.018644
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0.045832 0.016709 0.032475 0.045832 0.016709 0.018644 0.045832 0.020057
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0.018644 0.016709 -0.881413 0.032475 0.016709 0.045832 0.018644 0.016709
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0.045832 0.032475 0.016709 0.071045 0.032475 0.020057 0.045832 0.032475
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0.016709 0.045832 0.018644 0.016709 0.045832 0.018644 0.020057 0.045832
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0.025382 0.018644 0.032475 -0.775637 0.018644 0.018644 0.031714 0.032475
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0.032475 0.025382 0.032475 0.018644 0.025382 0.018644 0.032475 0.025382
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0.032475 0.032475 0.025382 0.018644 0.018644 0.025382 0.032475 0.018644
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0.018644 0.045832 0.016709 0.018644 -0.881413 0.016709 0.032475 0.071045
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0.016709 0.032475 0.045832 0.016709 0.018644 0.045832 0.016709 0.032475
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0.045832 0.020057 0.018644 0.045832 0.020057 0.032475 0.045832 0.016709
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0.032475 0.016709 0.045832 0.018644 0.016709 -0.881413 0.032475 0.016709
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0.071045 0.018644 0.016709 0.045832 0.032475 0.016709 0.045832 0.032475
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0.020057 0.045832 0.018644 0.020057 0.045832 0.018644 0.016709 0.045832
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0.025382 0.032475 0.018644 0.031714 0.032475 0.032475 -0.775637 0.018644
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0.018644 0.025382 0.018644 0.032475 0.025382 0.032475 0.018644 0.025382
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0.018644 0.018644 0.025382 0.032475 0.032475 0.025382 0.018644 0.032475
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0.032475 0.045832 0.016709 0.032475 0.071045 0.016709 0.018644 -0.881413
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0.016709 0.018644 0.045832 0.016709 0.032475 0.045832 0.016709 0.018644
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0.045832 0.020057 0.032475 0.045832 0.020057 0.018644 0.045832 0.016709
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0.018644 0.016709 0.045832 0.032475 0.016709 0.071045 0.018644 0.016709
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-0.881413 0.032475 0.016709 0.045832 0.018644 0.016709 0.045832 0.018644
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0.020057 0.045832 0.032475 0.020057 0.045832 0.032475 0.016709 0.045832
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0.031714 0.032475 0.032475 0.025382 0.032475 0.018644 0.025382 0.018644
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0.032475 -0.775637 0.018644 0.018644 0.025382 0.018644 0.018644 0.025382
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0.032475 0.018644 0.025382 0.018644 0.032475 0.025382 0.032475 0.032475
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0.032475 0.071045 0.016709 0.032475 0.045832 0.016709 0.018644 0.045832
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0.016709 0.018644 -0.881413 0.016709 0.018644 0.045832 0.020057 0.032475
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0.045832 0.016709 0.018644 0.045832 0.016709 0.032475 0.045832 0.020057
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0.032475 0.016709 0.071045 0.018644 0.016709 0.045832 0.032475 0.016709
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0.045832 0.018644 0.016709 -0.881413 0.018644 0.020057 0.045832 0.018644
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0.016709 0.045832 0.032475 0.016709 0.045832 0.032475 0.020057 0.045832
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0.025382 0.032475 0.032475 0.025382 0.018644 0.032475 0.025382 0.032475
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0.018644 0.025382 0.018644 0.018644 -0.775637 0.018644 0.018644 0.025382
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0.018644 0.032475 0.025382 0.032475 0.018644 0.031714 0.032475 0.032475
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0.032475 0.045832 0.020057 0.018644 0.045832 0.016709 0.032475 0.045832
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0.016709 0.018644 0.045832 0.020057 0.018644 -0.881413 0.016709 0.018644
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0.045832 0.016709 0.032475 0.045832 0.016709 0.032475 0.071045 0.016709
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0.032475 0.020057 0.045832 0.032475 0.016709 0.045832 0.018644 0.016709
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0.045832 0.018644 0.020057 0.045832 0.018644 0.016709 -0.881413 0.032475
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0.016709 0.045832 0.018644 0.016709 0.045832 0.032475 0.016709 0.071045
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0.025382 0.018644 0.032475 0.025382 0.032475 0.032475 0.025382 0.018644
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0.018644 0.025382 0.032475 0.018644 0.025382 0.018644 0.032475 -0.775637
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0.018644 0.018644 0.031714 0.032475 0.032475 0.025382 0.032475 0.018644
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0.018644 0.045832 0.016709 0.032475 0.045832 0.020057 0.018644 0.045832
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0.020057 0.032475 0.045832 0.016709 0.018644 0.045832 0.016709 0.018644
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-0.881413 0.016709 0.032475 0.071045 0.016709 0.032475 0.045832 0.016709
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0.032475 0.016709 0.045832 0.032475 0.020057 0.045832 0.018644 0.020057
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0.045832 0.018644 0.016709 0.045832 0.032475 0.016709 0.045832 0.018644
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0.016709 -0.881413 0.032475 0.016709 0.071045 0.018644 0.016709 0.045832
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0.025382 0.032475 0.018644 0.025382 0.018644 0.018644 0.025382 0.032475
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0.032475 0.025382 0.018644 0.032475 0.025382 0.032475 0.018644 0.031714
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0.032475 0.032475 -0.775637 0.018644 0.018644 0.025382 0.018644 0.032475
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0.032475 0.045832 0.016709 0.018644 0.045832 0.020057 0.032475 0.045832
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0.020057 0.018644 0.045832 0.016709 0.032475 0.045832 0.016709 0.032475
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0.071045 0.016709 0.018644 -0.881413 0.016709 0.018644 0.045832 0.016709
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0.018644 0.016709 0.045832 0.018644 0.020057 0.045832 0.032475 0.020057
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0.045832 0.032475 0.016709 0.045832 0.018644 0.016709 0.045832 0.032475
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0.016709 0.071045 0.018644 0.016709 -0.881413 0.032475 0.016709 0.045832
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0.025382 0.018644 0.018644 0.025382 0.032475 0.018644 0.025382 0.018644
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0.032475 0.025382 0.032475 0.032475 0.031714 0.032475 0.032475 0.025382
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0.032475 0.018644 0.025382 0.018644 0.032475 -0.775637 0.018644 0.018644
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0.018644 0.045832 0.020057 0.032475 0.045832 0.016709 0.018644 0.045832
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0.016709 0.032475 0.045832 0.020057 0.032475 0.071045 0.016709 0.032475
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0.045832 0.016709 0.018644 0.045832 0.016709 0.018644 -0.881413 0.016709
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0.018644 0.020057 0.045832 0.018644 0.016709 0.045832 0.032475 0.016709
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0.045832 0.032475 0.020057 0.045832 0.032475 0.016709 0.071045 0.018644
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0.016709 0.045832 0.032475 0.016709 0.045832 0.018644 0.016709 -0.881413
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chi matrix :
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-0.158269 -0.000655 -0.000655 0.000754 -0.000655 0.005961 0.000754 0.005961
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-0.000655 0.002745 0.005961 0.005961 0.000754 0.005961 0.005961 0.000754
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-0.000655 0.005961 0.000754 0.005961 -0.000655 0.000754 -0.000655 -0.000655
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-0.000655 -0.105066 0.000802 -0.000655 0.000991 0.000802 0.005961 0.000991
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0.000802 0.005961 0.002534 0.000802 0.005961 0.000991 -0.000929 -0.000655
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0.000991 0.000802 0.005961 0.000991 0.000802 -0.000655 0.000991 -0.000929
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-0.000655 0.000802 -0.105066 0.005961 0.000802 0.000991 -0.000655 0.000802
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0.000991 0.005961 0.000802 0.002534 0.005961 -0.000929 0.000991 0.005961
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0.000802 0.000991 -0.000655 0.000802 0.000991 -0.000655 -0.000929 0.000991
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0.000754 -0.000655 0.005961 -0.158269 -0.000655 -0.000655 0.002745 0.005961
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0.005961 0.000754 0.005961 -0.000655 0.000754 -0.000655 0.005961 0.000754
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0.005961 0.005961 0.000754 -0.000655 -0.000655 0.000754 0.005961 -0.000655
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-0.000655 0.000991 0.000802 -0.000655 -0.105066 0.000802 0.005961 0.002534
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0.000802 0.005961 0.000991 0.000802 -0.000655 0.000991 0.000802 0.005961
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0.000991 -0.000929 -0.000655 0.000991 -0.000929 0.005961 0.000991 0.000802
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0.005961 0.000802 0.000991 -0.000655 0.000802 -0.105066 0.005961 0.000802
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0.002534 -0.000655 0.000802 0.000991 0.005961 0.000802 0.000991 0.005961
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-0.000929 0.000991 -0.000655 -0.000929 0.000991 -0.000655 0.000802 0.000991
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0.000754 0.005961 -0.000655 0.002745 0.005961 0.005961 -0.158269 -0.000655
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-0.000655 0.000754 -0.000655 0.005961 0.000754 0.005961 -0.000655 0.000754
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-0.000655 -0.000655 0.000754 0.005961 0.005961 0.000754 -0.000655 0.005961
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0.005961 0.000991 0.000802 0.005961 0.002534 0.000802 -0.000655 -0.105066
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0.000802 -0.000655 0.000991 0.000802 0.005961 0.000991 0.000802 -0.000655
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0.000991 -0.000929 0.005961 0.000991 -0.000929 -0.000655 0.000991 0.000802
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-0.000655 0.000802 0.000991 0.005961 0.000802 0.002534 -0.000655 0.000802
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-0.105066 0.005961 0.000802 0.000991 -0.000655 0.000802 0.000991 -0.000655
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-0.000929 0.000991 0.005961 -0.000929 0.000991 0.005961 0.000802 0.000991
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0.002745 0.005961 0.005961 0.000754 0.005961 -0.000655 0.000754 -0.000655
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0.005961 -0.158269 -0.000655 -0.000655 0.000754 -0.000655 -0.000655 0.000754
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0.005961 -0.000655 0.000754 -0.000655 0.005961 0.000754 0.005961 0.005961
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0.005961 0.002534 0.000802 0.005961 0.000991 0.000802 -0.000655 0.000991
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0.000802 -0.000655 -0.105066 0.000802 -0.000655 0.000991 -0.000929 0.005961
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0.000991 0.000802 -0.000655 0.000991 0.000802 0.005961 0.000991 -0.000929
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0.005961 0.000802 0.002534 -0.000655 0.000802 0.000991 0.005961 0.000802
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0.000991 -0.000655 0.000802 -0.105066 -0.000655 -0.000929 0.000991 -0.000655
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0.000802 0.000991 0.005961 0.000802 0.000991 0.005961 -0.000929 0.000991
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0.000754 0.005961 0.005961 0.000754 -0.000655 0.005961 0.000754 0.005961
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-0.000655 0.000754 -0.000655 -0.000655 -0.158269 -0.000655 -0.000655 0.000754
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-0.000655 0.005961 0.000754 0.005961 -0.000655 0.002745 0.005961 0.005961
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0.005961 0.000991 -0.000929 -0.000655 0.000991 0.000802 0.005961 0.000991
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0.000802 -0.000655 0.000991 -0.000929 -0.000655 -0.105066 0.000802 -0.000655
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0.000991 0.000802 0.005961 0.000991 0.000802 0.005961 0.002534 0.000802
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0.005961 -0.000929 0.000991 0.005961 0.000802 0.000991 -0.000655 0.000802
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0.000991 -0.000655 -0.000929 0.000991 -0.000655 0.000802 -0.105066 0.005961
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0.000802 0.000991 -0.000655 0.000802 0.000991 0.005961 0.000802 0.002534
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0.000754 -0.000655 0.005961 0.000754 0.005961 0.005961 0.000754 -0.000655
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-0.000655 0.000754 0.005961 -0.000655 0.000754 -0.000655 0.005961 -0.158269
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-0.000655 -0.000655 0.002745 0.005961 0.005961 0.000754 0.005961 -0.000655
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-0.000655 0.000991 0.000802 0.005961 0.000991 -0.000929 -0.000655 0.000991
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-0.000929 0.005961 0.000991 0.000802 -0.000655 0.000991 0.000802 -0.000655
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-0.105066 0.000802 0.005961 0.002534 0.000802 0.005961 0.000991 0.000802
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0.005961 0.000802 0.000991 0.005961 -0.000929 0.000991 -0.000655 -0.000929
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0.000991 -0.000655 0.000802 0.000991 0.005961 0.000802 0.000991 -0.000655
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0.000802 -0.105066 0.005961 0.000802 0.002534 -0.000655 0.000802 0.000991
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0.000754 0.005961 -0.000655 0.000754 -0.000655 -0.000655 0.000754 0.005961
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0.005961 0.000754 -0.000655 0.005961 0.000754 0.005961 -0.000655 0.002745
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0.005961 0.005961 -0.158269 -0.000655 -0.000655 0.000754 -0.000655 0.005961
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0.005961 0.000991 0.000802 -0.000655 0.000991 -0.000929 0.005961 0.000991
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-0.000929 -0.000655 0.000991 0.000802 0.005961 0.000991 0.000802 0.005961
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0.002534 0.000802 -0.000655 -0.105066 0.000802 -0.000655 0.000991 0.000802
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-0.000655 0.000802 0.000991 -0.000655 -0.000929 0.000991 0.005961 -0.000929
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0.000991 0.005961 0.000802 0.000991 -0.000655 0.000802 0.000991 0.005961
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0.000802 0.002534 -0.000655 0.000802 -0.105066 0.005961 0.000802 0.000991
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0.000754 -0.000655 -0.000655 0.000754 0.005961 -0.000655 0.000754 -0.000655
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0.005961 0.000754 0.005961 0.005961 0.002745 0.005961 0.005961 0.000754
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0.005961 -0.000655 0.000754 -0.000655 0.005961 -0.158269 -0.000655 -0.000655
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-0.000655 0.000991 -0.000929 0.005961 0.000991 0.000802 -0.000655 0.000991
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0.000802 0.005961 0.000991 -0.000929 0.005961 0.002534 0.000802 0.005961
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0.000991 0.000802 -0.000655 0.000991 0.000802 -0.000655 -0.105066 0.000802
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-0.000655 -0.000929 0.000991 -0.000655 0.000802 0.000991 0.005961 0.000802
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0.000991 0.005961 -0.000929 0.000991 0.005961 0.000802 0.002534 -0.000655
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0.000802 0.000991 0.005961 0.000802 0.000991 -0.000655 0.000802 -0.105066
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chi0^{-1} matrix :
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-1.421426 -0.161292 -0.161292 -0.171702 -0.161292 -0.179314 -0.171702 -0.179314
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-0.161292 -0.180337 -0.179314 -0.179314 -0.171702 -0.179314 -0.179314 -0.171702
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-0.161292 -0.179314 -0.171702 -0.179314 -0.161292 -0.171702 -0.161292 -0.161292
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-0.161292 -1.280101 -0.152860 -0.161292 -0.200286 -0.152860 -0.179314 -0.200286
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-0.152860 -0.179314 -0.229140 -0.152860 -0.179314 -0.200286 -0.156452 -0.161292
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-0.200286 -0.152860 -0.179314 -0.200286 -0.152860 -0.161292 -0.200286 -0.157499
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-0.161292 -0.152860 -1.280101 -0.179314 -0.152860 -0.200286 -0.161292 -0.152860
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-0.200286 -0.179314 -0.152860 -0.229140 -0.179314 -0.156452 -0.200286 -0.179314
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|
-0.152860 -0.200286 -0.161292 -0.152860 -0.200286 -0.161292 -0.157499 -0.200286
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|
|
|
-0.171702 -0.161292 -0.179314 -1.421426 -0.161292 -0.161292 -0.180337 -0.179314
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|
-0.179314 -0.171702 -0.179314 -0.161292 -0.171702 -0.161292 -0.179314 -0.171702
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|
-0.179314 -0.179314 -0.171702 -0.161292 -0.161292 -0.171702 -0.179314 -0.161292
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-0.161292 -0.200286 -0.152860 -0.161292 -1.280101 -0.152860 -0.179314 -0.229140
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|
-0.152860 -0.179314 -0.200286 -0.152860 -0.161292 -0.200286 -0.152860 -0.179314
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|
-0.200286 -0.156452 -0.161292 -0.200286 -0.157499 -0.179314 -0.200286 -0.152860
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|
|
|
-0.179314 -0.152860 -0.200286 -0.161292 -0.152860 -1.280101 -0.179314 -0.152860
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|
-0.229140 -0.161292 -0.152860 -0.200286 -0.179314 -0.152860 -0.200286 -0.179314
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|
-0.156452 -0.200286 -0.161292 -0.157499 -0.200286 -0.161292 -0.152860 -0.200286
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-0.171702 -0.179314 -0.161292 -0.180337 -0.179314 -0.179314 -1.421426 -0.161292
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-0.161292 -0.171702 -0.161292 -0.179314 -0.171702 -0.179314 -0.161292 -0.171702
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-0.161292 -0.161292 -0.171702 -0.179314 -0.179314 -0.171702 -0.161292 -0.179314
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-0.179314 -0.200286 -0.152860 -0.179314 -0.229140 -0.152860 -0.161292 -1.280101
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|
-0.152860 -0.161292 -0.200286 -0.152860 -0.179314 -0.200286 -0.152860 -0.161292
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|
-0.200286 -0.157499 -0.179314 -0.200286 -0.156452 -0.161292 -0.200286 -0.152860
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|
|
|
-0.161292 -0.152860 -0.200286 -0.179314 -0.152860 -0.229140 -0.161292 -0.152860
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-1.280101 -0.179314 -0.152860 -0.200286 -0.161292 -0.152860 -0.200286 -0.161292
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|
-0.157499 -0.200286 -0.179314 -0.156452 -0.200286 -0.179314 -0.152860 -0.200286
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|
|
|
-0.180337 -0.179314 -0.179314 -0.171702 -0.179314 -0.161292 -0.171702 -0.161292
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|
-0.179314 -1.421426 -0.161292 -0.161292 -0.171702 -0.161292 -0.161292 -0.171702
|
|
-0.179314 -0.161292 -0.171702 -0.161292 -0.179314 -0.171702 -0.179314 -0.179314
|
|
|
|
-0.179314 -0.229140 -0.152860 -0.179314 -0.200286 -0.152860 -0.161292 -0.200286
|
|
-0.152860 -0.161292 -1.280101 -0.152860 -0.161292 -0.200286 -0.157499 -0.179314
|
|
-0.200286 -0.152860 -0.161292 -0.200286 -0.152860 -0.179314 -0.200286 -0.156452
|
|
|
|
-0.179314 -0.152860 -0.229140 -0.161292 -0.152860 -0.200286 -0.179314 -0.152860
|
|
-0.200286 -0.161292 -0.152860 -1.280101 -0.161292 -0.157499 -0.200286 -0.161292
|
|
-0.152860 -0.200286 -0.179314 -0.152860 -0.200286 -0.179314 -0.156452 -0.200286
|
|
|
|
-0.171702 -0.179314 -0.179314 -0.171702 -0.161292 -0.179314 -0.171702 -0.179314
|
|
-0.161292 -0.171702 -0.161292 -0.161292 -1.421426 -0.161292 -0.161292 -0.171702
|
|
-0.161292 -0.179314 -0.171702 -0.179314 -0.161292 -0.180337 -0.179314 -0.179314
|
|
|
|
-0.179314 -0.200286 -0.156452 -0.161292 -0.200286 -0.152860 -0.179314 -0.200286
|
|
-0.152860 -0.161292 -0.200286 -0.157499 -0.161292 -1.280101 -0.152860 -0.161292
|
|
-0.200286 -0.152860 -0.179314 -0.200286 -0.152860 -0.179314 -0.229140 -0.152860
|
|
|
|
-0.179314 -0.156452 -0.200286 -0.179314 -0.152860 -0.200286 -0.161292 -0.152860
|
|
-0.200286 -0.161292 -0.157499 -0.200286 -0.161292 -0.152860 -1.280101 -0.179314
|
|
-0.152860 -0.200286 -0.161292 -0.152860 -0.200286 -0.179314 -0.152860 -0.229140
|
|
|
|
-0.171702 -0.161292 -0.179314 -0.171702 -0.179314 -0.179314 -0.171702 -0.161292
|
|
-0.161292 -0.171702 -0.179314 -0.161292 -0.171702 -0.161292 -0.179314 -1.421426
|
|
-0.161292 -0.161292 -0.180337 -0.179314 -0.179314 -0.171702 -0.179314 -0.161292
|
|
|
|
-0.161292 -0.200286 -0.152860 -0.179314 -0.200286 -0.156452 -0.161292 -0.200286
|
|
-0.157499 -0.179314 -0.200286 -0.152860 -0.161292 -0.200286 -0.152860 -0.161292
|
|
-1.280101 -0.152860 -0.179314 -0.229140 -0.152860 -0.179314 -0.200286 -0.152860
|
|
|
|
-0.179314 -0.152860 -0.200286 -0.179314 -0.156452 -0.200286 -0.161292 -0.157499
|
|
-0.200286 -0.161292 -0.152860 -0.200286 -0.179314 -0.152860 -0.200286 -0.161292
|
|
-0.152860 -1.280101 -0.179314 -0.152860 -0.229140 -0.161292 -0.152860 -0.200286
|
|
|
|
-0.171702 -0.179314 -0.161292 -0.171702 -0.161292 -0.161292 -0.171702 -0.179314
|
|
-0.179314 -0.171702 -0.161292 -0.179314 -0.171702 -0.179314 -0.161292 -0.180337
|
|
-0.179314 -0.179314 -1.421426 -0.161292 -0.161292 -0.171702 -0.161292 -0.179314
|
|
|
|
-0.179314 -0.200286 -0.152860 -0.161292 -0.200286 -0.157499 -0.179314 -0.200286
|
|
-0.156452 -0.161292 -0.200286 -0.152860 -0.179314 -0.200286 -0.152860 -0.179314
|
|
-0.229140 -0.152860 -0.161292 -1.280101 -0.152860 -0.161292 -0.200286 -0.152860
|
|
|
|
-0.161292 -0.152860 -0.200286 -0.161292 -0.157499 -0.200286 -0.179314 -0.156452
|
|
-0.200286 -0.179314 -0.152860 -0.200286 -0.161292 -0.152860 -0.200286 -0.179314
|
|
-0.152860 -0.229140 -0.161292 -0.152860 -1.280101 -0.179314 -0.152860 -0.200286
|
|
|
|
-0.171702 -0.161292 -0.161292 -0.171702 -0.179314 -0.161292 -0.171702 -0.161292
|
|
-0.179314 -0.171702 -0.179314 -0.179314 -0.180337 -0.179314 -0.179314 -0.171702
|
|
-0.179314 -0.161292 -0.171702 -0.161292 -0.179314 -1.421426 -0.161292 -0.161292
|
|
|
|
-0.161292 -0.200286 -0.157499 -0.179314 -0.200286 -0.152860 -0.161292 -0.200286
|
|
-0.152860 -0.179314 -0.200286 -0.156452 -0.179314 -0.229140 -0.152860 -0.179314
|
|
-0.200286 -0.152860 -0.161292 -0.200286 -0.152860 -0.161292 -1.280101 -0.152860
|
|
|
|
-0.161292 -0.157499 -0.200286 -0.161292 -0.152860 -0.200286 -0.179314 -0.152860
|
|
-0.200286 -0.179314 -0.156452 -0.200286 -0.179314 -0.152860 -0.229140 -0.161292
|
|
-0.152860 -0.200286 -0.179314 -0.152860 -0.200286 -0.161292 -0.152860 -1.280101
|
|
|
|
|
|
chi^{-1} matrix :
|
|
-6.441597 -0.005528 -0.005528 -0.088151 -0.005528 -0.395319 -0.088151 -0.395319
|
|
-0.005528 -0.102805 -0.395319 -0.395319 -0.088151 -0.395319 -0.395319 -0.088151
|
|
-0.005528 -0.395319 -0.088151 -0.395319 -0.005528 -0.088151 -0.005528 -0.005528
|
|
|
|
-0.005528 -9.627589 -0.124704 -0.005528 -0.143530 -0.124704 -0.395319 -0.143530
|
|
-0.124704 -0.395319 -0.238044 -0.124704 -0.395319 -0.143530 0.081910 -0.005528
|
|
-0.143530 -0.124704 -0.395319 -0.143530 -0.124704 -0.005528 -0.143530 -0.013967
|
|
|
|
-0.005528 -0.124704 -9.627589 -0.395319 -0.124704 -0.143530 -0.005528 -0.124704
|
|
-0.143530 -0.395319 -0.124704 -0.238044 -0.395319 0.081910 -0.143530 -0.395319
|
|
-0.124704 -0.143530 -0.005528 -0.124704 -0.143530 -0.005528 -0.013967 -0.143530
|
|
|
|
-0.088151 -0.005528 -0.395319 -6.441597 -0.005528 -0.005528 -0.102805 -0.395319
|
|
-0.395319 -0.088151 -0.395319 -0.005528 -0.088151 -0.005528 -0.395319 -0.088151
|
|
-0.395319 -0.395319 -0.088151 -0.005528 -0.005528 -0.088151 -0.395319 -0.005528
|
|
|
|
-0.005528 -0.143530 -0.124704 -0.005528 -9.627589 -0.124704 -0.395319 -0.238044
|
|
-0.124704 -0.395319 -0.143530 -0.124704 -0.005528 -0.143530 -0.124704 -0.395319
|
|
-0.143530 0.081910 -0.005528 -0.143530 -0.013967 -0.395319 -0.143530 -0.124704
|
|
|
|
-0.395319 -0.124704 -0.143530 -0.005528 -0.124704 -9.627589 -0.395319 -0.124704
|
|
-0.238044 -0.005528 -0.124704 -0.143530 -0.395319 -0.124704 -0.143530 -0.395319
|
|
0.081910 -0.143530 -0.005528 -0.013967 -0.143530 -0.005528 -0.124704 -0.143530
|
|
|
|
-0.088151 -0.395319 -0.005528 -0.102805 -0.395319 -0.395319 -6.441597 -0.005528
|
|
-0.005528 -0.088151 -0.005528 -0.395319 -0.088151 -0.395319 -0.005528 -0.088151
|
|
-0.005528 -0.005528 -0.088151 -0.395319 -0.395319 -0.088151 -0.005528 -0.395319
|
|
|
|
-0.395319 -0.143530 -0.124704 -0.395319 -0.238044 -0.124704 -0.005528 -9.627589
|
|
-0.124704 -0.005528 -0.143530 -0.124704 -0.395319 -0.143530 -0.124704 -0.005528
|
|
-0.143530 -0.013967 -0.395319 -0.143530 0.081910 -0.005528 -0.143530 -0.124704
|
|
|
|
-0.005528 -0.124704 -0.143530 -0.395319 -0.124704 -0.238044 -0.005528 -0.124704
|
|
-9.627589 -0.395319 -0.124704 -0.143530 -0.005528 -0.124704 -0.143530 -0.005528
|
|
-0.013967 -0.143530 -0.395319 0.081910 -0.143530 -0.395319 -0.124704 -0.143530
|
|
|
|
-0.102805 -0.395319 -0.395319 -0.088151 -0.395319 -0.005528 -0.088151 -0.005528
|
|
-0.395319 -6.441597 -0.005528 -0.005528 -0.088151 -0.005528 -0.005528 -0.088151
|
|
-0.395319 -0.005528 -0.088151 -0.005528 -0.395319 -0.088151 -0.395319 -0.395319
|
|
|
|
-0.395319 -0.238044 -0.124704 -0.395319 -0.143530 -0.124704 -0.005528 -0.143530
|
|
-0.124704 -0.005528 -9.627589 -0.124704 -0.005528 -0.143530 -0.013967 -0.395319
|
|
-0.143530 -0.124704 -0.005528 -0.143530 -0.124704 -0.395319 -0.143530 0.081910
|
|
|
|
-0.395319 -0.124704 -0.238044 -0.005528 -0.124704 -0.143530 -0.395319 -0.124704
|
|
-0.143530 -0.005528 -0.124704 -9.627589 -0.005528 -0.013967 -0.143530 -0.005528
|
|
-0.124704 -0.143530 -0.395319 -0.124704 -0.143530 -0.395319 0.081910 -0.143530
|
|
|
|
-0.088151 -0.395319 -0.395319 -0.088151 -0.005528 -0.395319 -0.088151 -0.395319
|
|
-0.005528 -0.088151 -0.005528 -0.005528 -6.441597 -0.005528 -0.005528 -0.088151
|
|
-0.005528 -0.395319 -0.088151 -0.395319 -0.005528 -0.102805 -0.395319 -0.395319
|
|
|
|
-0.395319 -0.143530 0.081910 -0.005528 -0.143530 -0.124704 -0.395319 -0.143530
|
|
-0.124704 -0.005528 -0.143530 -0.013967 -0.005528 -9.627589 -0.124704 -0.005528
|
|
-0.143530 -0.124704 -0.395319 -0.143530 -0.124704 -0.395319 -0.238044 -0.124704
|
|
|
|
-0.395319 0.081910 -0.143530 -0.395319 -0.124704 -0.143530 -0.005528 -0.124704
|
|
-0.143530 -0.005528 -0.013967 -0.143530 -0.005528 -0.124704 -9.627589 -0.395319
|
|
-0.124704 -0.143530 -0.005528 -0.124704 -0.143530 -0.395319 -0.124704 -0.238044
|
|
|
|
-0.088151 -0.005528 -0.395319 -0.088151 -0.395319 -0.395319 -0.088151 -0.005528
|
|
-0.005528 -0.088151 -0.395319 -0.005528 -0.088151 -0.005528 -0.395319 -6.441597
|
|
-0.005528 -0.005528 -0.102805 -0.395319 -0.395319 -0.088151 -0.395319 -0.005528
|
|
|
|
-0.005528 -0.143530 -0.124704 -0.395319 -0.143530 0.081910 -0.005528 -0.143530
|
|
-0.013967 -0.395319 -0.143530 -0.124704 -0.005528 -0.143530 -0.124704 -0.005528
|
|
-9.627589 -0.124704 -0.395319 -0.238044 -0.124704 -0.395319 -0.143530 -0.124704
|
|
|
|
-0.395319 -0.124704 -0.143530 -0.395319 0.081910 -0.143530 -0.005528 -0.013967
|
|
-0.143530 -0.005528 -0.124704 -0.143530 -0.395319 -0.124704 -0.143530 -0.005528
|
|
-0.124704 -9.627589 -0.395319 -0.124704 -0.238044 -0.005528 -0.124704 -0.143530
|
|
|
|
-0.088151 -0.395319 -0.005528 -0.088151 -0.005528 -0.005528 -0.088151 -0.395319
|
|
-0.395319 -0.088151 -0.005528 -0.395319 -0.088151 -0.395319 -0.005528 -0.102805
|
|
-0.395319 -0.395319 -6.441597 -0.005528 -0.005528 -0.088151 -0.005528 -0.395319
|
|
|
|
-0.395319 -0.143530 -0.124704 -0.005528 -0.143530 -0.013967 -0.395319 -0.143530
|
|
0.081910 -0.005528 -0.143530 -0.124704 -0.395319 -0.143530 -0.124704 -0.395319
|
|
-0.238044 -0.124704 -0.005528 -9.627589 -0.124704 -0.005528 -0.143530 -0.124704
|
|
|
|
-0.005528 -0.124704 -0.143530 -0.005528 -0.013967 -0.143530 -0.395319 0.081910
|
|
-0.143530 -0.395319 -0.124704 -0.143530 -0.005528 -0.124704 -0.143530 -0.395319
|
|
-0.124704 -0.238044 -0.005528 -0.124704 -9.627589 -0.395319 -0.124704 -0.143530
|
|
|
|
-0.088151 -0.005528 -0.005528 -0.088151 -0.395319 -0.005528 -0.088151 -0.005528
|
|
-0.395319 -0.088151 -0.395319 -0.395319 -0.102805 -0.395319 -0.395319 -0.088151
|
|
-0.395319 -0.005528 -0.088151 -0.005528 -0.395319 -6.441597 -0.005528 -0.005528
|
|
|
|
-0.005528 -0.143530 -0.013967 -0.395319 -0.143530 -0.124704 -0.005528 -0.143530
|
|
-0.124704 -0.395319 -0.143530 0.081910 -0.395319 -0.238044 -0.124704 -0.395319
|
|
-0.143530 -0.124704 -0.005528 -0.143530 -0.124704 -0.005528 -9.627589 -0.124704
|
|
|
|
-0.005528 -0.013967 -0.143530 -0.005528 -0.124704 -0.143530 -0.395319 -0.124704
|
|
-0.143530 -0.395319 0.081910 -0.143530 -0.395319 -0.124704 -0.238044 -0.005528
|
|
-0.124704 -0.143530 -0.395319 -0.124704 -0.143530 -0.005528 -0.124704 -9.627589
|
|
|
|
|
|
Hubbard matrix :
|
|
5.020171 -0.155764 -0.155764 -0.083551 -0.155764 0.216005 -0.083551 0.216005
|
|
-0.155764 -0.077533 0.216005 0.216005 -0.083551 0.216005 0.216005 -0.083551
|
|
-0.155764 0.216005 -0.083551 0.216005 -0.155764 -0.083551 -0.155764 -0.155764
|
|
|
|
-0.155764 8.347488 -0.028156 -0.155764 -0.056756 -0.028156 0.216005 -0.056756
|
|
-0.028156 0.216005 0.008904 -0.028156 0.216005 -0.056756 -0.238362 -0.155764
|
|
-0.056756 -0.028156 0.216005 -0.056756 -0.028156 -0.155764 -0.056756 -0.143532
|
|
|
|
-0.155764 -0.028156 8.347488 0.216005 -0.028156 -0.056756 -0.155764 -0.028156
|
|
-0.056756 0.216005 -0.028156 0.008904 0.216005 -0.238362 -0.056756 0.216005
|
|
-0.028156 -0.056756 -0.155764 -0.028156 -0.056756 -0.155764 -0.143532 -0.056756
|
|
|
|
-0.083551 -0.155764 0.216005 5.020171 -0.155764 -0.155764 -0.077533 0.216005
|
|
0.216005 -0.083551 0.216005 -0.155764 -0.083551 -0.155764 0.216005 -0.083551
|
|
0.216005 0.216005 -0.083551 -0.155764 -0.155764 -0.083551 0.216005 -0.155764
|
|
|
|
-0.155764 -0.056756 -0.028156 -0.155764 8.347488 -0.028156 0.216005 0.008904
|
|
-0.028156 0.216005 -0.056756 -0.028156 -0.155764 -0.056756 -0.028156 0.216005
|
|
-0.056756 -0.238362 -0.155764 -0.056756 -0.143532 0.216005 -0.056756 -0.028156
|
|
|
|
0.216005 -0.028156 -0.056756 -0.155764 -0.028156 8.347488 0.216005 -0.028156
|
|
0.008904 -0.155764 -0.028156 -0.056756 0.216005 -0.028156 -0.056756 0.216005
|
|
-0.238362 -0.056756 -0.155764 -0.143532 -0.056756 -0.155764 -0.028156 -0.056756
|
|
|
|
-0.083551 0.216005 -0.155764 -0.077533 0.216005 0.216005 5.020171 -0.155764
|
|
-0.155764 -0.083551 -0.155764 0.216005 -0.083551 0.216005 -0.155764 -0.083551
|
|
-0.155764 -0.155764 -0.083551 0.216005 0.216005 -0.083551 -0.155764 0.216005
|
|
|
|
0.216005 -0.056756 -0.028156 0.216005 0.008904 -0.028156 -0.155764 8.347488
|
|
-0.028156 -0.155764 -0.056756 -0.028156 0.216005 -0.056756 -0.028156 -0.155764
|
|
-0.056756 -0.143532 0.216005 -0.056756 -0.238362 -0.155764 -0.056756 -0.028156
|
|
|
|
-0.155764 -0.028156 -0.056756 0.216005 -0.028156 0.008904 -0.155764 -0.028156
|
|
8.347488 0.216005 -0.028156 -0.056756 -0.155764 -0.028156 -0.056756 -0.155764
|
|
-0.143532 -0.056756 0.216005 -0.238362 -0.056756 0.216005 -0.028156 -0.056756
|
|
|
|
-0.077533 0.216005 0.216005 -0.083551 0.216005 -0.155764 -0.083551 -0.155764
|
|
0.216005 5.020171 -0.155764 -0.155764 -0.083551 -0.155764 -0.155764 -0.083551
|
|
0.216005 -0.155764 -0.083551 -0.155764 0.216005 -0.083551 0.216005 0.216005
|
|
|
|
0.216005 0.008904 -0.028156 0.216005 -0.056756 -0.028156 -0.155764 -0.056756
|
|
-0.028156 -0.155764 8.347488 -0.028156 -0.155764 -0.056756 -0.143532 0.216005
|
|
-0.056756 -0.028156 -0.155764 -0.056756 -0.028156 0.216005 -0.056756 -0.238362
|
|
|
|
0.216005 -0.028156 0.008904 -0.155764 -0.028156 -0.056756 0.216005 -0.028156
|
|
-0.056756 -0.155764 -0.028156 8.347488 -0.155764 -0.143532 -0.056756 -0.155764
|
|
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