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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-0.775616 0.018644 0.018644 0.025381 0.018644 0.032474 0.025381 0.032474
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0.018644 0.031713 0.032474 0.032474 0.025381 0.032474 0.032474 0.025381
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0.018644 0.032474 0.025381 0.032474 0.018644 0.025381 0.018644 0.018644
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0.018644 -0.881403 0.016708 0.018644 0.045831 0.016708 0.032474 0.045831
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0.016708 0.032474 0.071044 0.016708 0.032474 0.045831 0.020058 0.018644
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0.045831 0.016708 0.032474 0.045831 0.016708 0.018644 0.045831 0.020058
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0.018644 0.016708 -0.881403 0.032474 0.016708 0.045831 0.018644 0.016708
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0.045831 0.032474 0.016708 0.071044 0.032474 0.020058 0.045831 0.032474
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0.016708 0.045831 0.018644 0.016708 0.045831 0.018644 0.020058 0.045831
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0.025381 0.018644 0.032474 -0.775616 0.018644 0.018644 0.031713 0.032474
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0.032474 0.025381 0.032474 0.018644 0.025381 0.018644 0.032474 0.025381
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0.032474 0.032474 0.025381 0.018644 0.018644 0.025381 0.032474 0.018644
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0.018644 0.045831 0.016708 0.018644 -0.881403 0.016708 0.032474 0.071044
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0.016708 0.032474 0.045831 0.016708 0.018644 0.045831 0.016708 0.032474
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0.045831 0.020058 0.018644 0.045831 0.020058 0.032474 0.045831 0.016708
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0.032474 0.016708 0.045831 0.018644 0.016708 -0.881403 0.032474 0.016708
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0.071044 0.018644 0.016708 0.045831 0.032474 0.016708 0.045831 0.032474
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0.020058 0.045831 0.018644 0.020058 0.045831 0.018644 0.016708 0.045831
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0.025381 0.032474 0.018644 0.031713 0.032474 0.032474 -0.775616 0.018644
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0.018644 0.025381 0.018644 0.032474 0.025381 0.032474 0.018644 0.025381
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0.018644 0.018644 0.025381 0.032474 0.032474 0.025381 0.018644 0.032474
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0.032474 0.045831 0.016708 0.032474 0.071044 0.016708 0.018644 -0.881403
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0.016708 0.018644 0.045831 0.016708 0.032474 0.045831 0.016708 0.018644
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0.045831 0.020058 0.032474 0.045831 0.020058 0.018644 0.045831 0.016708
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0.018644 0.016708 0.045831 0.032474 0.016708 0.071044 0.018644 0.016708
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-0.881403 0.032474 0.016708 0.045831 0.018644 0.016708 0.045831 0.018644
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0.020058 0.045831 0.032474 0.020058 0.045831 0.032474 0.016708 0.045831
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0.031713 0.032474 0.032474 0.025381 0.032474 0.018644 0.025381 0.018644
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0.032474 -0.775616 0.018644 0.018644 0.025381 0.018644 0.018644 0.025381
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0.032474 0.018644 0.025381 0.018644 0.032474 0.025381 0.032474 0.032474
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0.032474 0.071044 0.016708 0.032474 0.045831 0.016708 0.018644 0.045831
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0.016708 0.018644 -0.881403 0.016708 0.018644 0.045831 0.020058 0.032474
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0.045831 0.016708 0.018644 0.045831 0.016708 0.032474 0.045831 0.020058
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0.032474 0.016708 0.071044 0.018644 0.016708 0.045831 0.032474 0.016708
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0.045831 0.018644 0.016708 -0.881403 0.018644 0.020058 0.045831 0.018644
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0.016708 0.045831 0.032474 0.016708 0.045831 0.032474 0.020058 0.045831
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0.025381 0.032474 0.032474 0.025381 0.018644 0.032474 0.025381 0.032474
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0.018644 0.025381 0.018644 0.018644 -0.775616 0.018644 0.018644 0.025381
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0.018644 0.032474 0.025381 0.032474 0.018644 0.031713 0.032474 0.032474
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0.032474 0.045831 0.020058 0.018644 0.045831 0.016708 0.032474 0.045831
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0.016708 0.018644 0.045831 0.020058 0.018644 -0.881403 0.016708 0.018644
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0.045831 0.016708 0.032474 0.045831 0.016708 0.032474 0.071044 0.016708
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0.032474 0.020058 0.045831 0.032474 0.016708 0.045831 0.018644 0.016708
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0.045831 0.018644 0.020058 0.045831 0.018644 0.016708 -0.881403 0.032474
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0.016708 0.045831 0.018644 0.016708 0.045831 0.032474 0.016708 0.071044
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0.025381 0.018644 0.032474 0.025381 0.032474 0.032474 0.025381 0.018644
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0.018644 0.025381 0.032474 0.018644 0.025381 0.018644 0.032474 -0.775616
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0.018644 0.018644 0.031713 0.032474 0.032474 0.025381 0.032474 0.018644
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0.018644 0.045831 0.016708 0.032474 0.045831 0.020058 0.018644 0.045831
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0.020058 0.032474 0.045831 0.016708 0.018644 0.045831 0.016708 0.018644
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-0.881403 0.016708 0.032474 0.071044 0.016708 0.032474 0.045831 0.016708
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0.032474 0.016708 0.045831 0.032474 0.020058 0.045831 0.018644 0.020058
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0.045831 0.018644 0.016708 0.045831 0.032474 0.016708 0.045831 0.018644
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0.016708 -0.881403 0.032474 0.016708 0.071044 0.018644 0.016708 0.045831
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0.025381 0.032474 0.018644 0.025381 0.018644 0.018644 0.025381 0.032474
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0.032474 0.025381 0.018644 0.032474 0.025381 0.032474 0.018644 0.031713
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0.032474 0.032474 -0.775616 0.018644 0.018644 0.025381 0.018644 0.032474
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0.032474 0.045831 0.016708 0.018644 0.045831 0.020058 0.032474 0.045831
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0.020058 0.018644 0.045831 0.016708 0.032474 0.045831 0.016708 0.032474
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0.071044 0.016708 0.018644 -0.881403 0.016708 0.018644 0.045831 0.016708
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0.018644 0.016708 0.045831 0.018644 0.020058 0.045831 0.032474 0.020058
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0.045831 0.032474 0.016708 0.045831 0.018644 0.016708 0.045831 0.032474
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0.016708 0.071044 0.018644 0.016708 -0.881403 0.032474 0.016708 0.045831
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0.025381 0.018644 0.018644 0.025381 0.032474 0.018644 0.025381 0.018644
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0.032474 0.025381 0.032474 0.032474 0.031713 0.032474 0.032474 0.025381
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0.032474 0.018644 0.025381 0.018644 0.032474 -0.775616 0.018644 0.018644
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0.018644 0.045831 0.020058 0.032474 0.045831 0.016708 0.018644 0.045831
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0.016708 0.032474 0.045831 0.020058 0.032474 0.071044 0.016708 0.032474
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0.045831 0.016708 0.018644 0.045831 0.016708 0.018644 -0.881403 0.016708
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0.018644 0.020058 0.045831 0.018644 0.016708 0.045831 0.032474 0.016708
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0.045831 0.032474 0.020058 0.045831 0.032474 0.016708 0.071044 0.018644
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0.016708 0.045831 0.032474 0.016708 0.045831 0.018644 0.016708 -0.881403
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chi matrix :
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-0.158268 -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 -0.105065 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 -0.105065 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 -0.158268 -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 -0.105065 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 -0.105065 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 -0.158268 -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 -0.105065
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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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-0.105065 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 -0.158268 -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 -0.105065 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 -0.105065 -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 -0.158268 -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 -0.105065 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 -0.105065 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 -0.158268
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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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-0.105065 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 -0.105065 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 -0.158268 -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 -0.105065 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 -0.105065 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 -0.158268 -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 -0.105065 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 -0.105065
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chi0^{-1} matrix :
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|
-1.421461 -0.161292 -0.161292 -0.171704 -0.161292 -0.179315 -0.171704 -0.179315
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-0.161292 -0.180338 -0.179315 -0.179315 -0.171704 -0.179315 -0.179315 -0.171704
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-0.161292 -0.179315 -0.171704 -0.179315 -0.161292 -0.171704 -0.161292 -0.161292
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-0.161292 -1.280114 -0.152859 -0.161292 -0.200285 -0.152859 -0.179315 -0.200285
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|
-0.152859 -0.179315 -0.229139 -0.152859 -0.179315 -0.200285 -0.156452 -0.161292
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-0.200285 -0.152859 -0.179315 -0.200285 -0.152859 -0.161292 -0.200285 -0.157499
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|
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-0.161292 -0.152859 -1.280114 -0.179315 -0.152859 -0.200285 -0.161292 -0.152859
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|
-0.200285 -0.179315 -0.152859 -0.229139 -0.179315 -0.156452 -0.200285 -0.179315
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|
-0.152859 -0.200285 -0.161292 -0.152859 -0.200285 -0.161292 -0.157499 -0.200285
|
|
|
|
-0.171704 -0.161292 -0.179315 -1.421461 -0.161292 -0.161292 -0.180338 -0.179315
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|
-0.179315 -0.171704 -0.179315 -0.161292 -0.171704 -0.161292 -0.179315 -0.171704
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|
-0.179315 -0.179315 -0.171704 -0.161292 -0.161292 -0.171704 -0.179315 -0.161292
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|
|
|
-0.161292 -0.200285 -0.152859 -0.161292 -1.280114 -0.152859 -0.179315 -0.229139
|
|
-0.152859 -0.179315 -0.200285 -0.152859 -0.161292 -0.200285 -0.152859 -0.179315
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|
-0.200285 -0.156452 -0.161292 -0.200285 -0.157499 -0.179315 -0.200285 -0.152859
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|
|
|
-0.179315 -0.152859 -0.200285 -0.161292 -0.152859 -1.280114 -0.179315 -0.152859
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|
-0.229139 -0.161292 -0.152859 -0.200285 -0.179315 -0.152859 -0.200285 -0.179315
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-0.156452 -0.200285 -0.161292 -0.157499 -0.200285 -0.161292 -0.152859 -0.200285
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|
|
|
-0.171704 -0.179315 -0.161292 -0.180338 -0.179315 -0.179315 -1.421461 -0.161292
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|
-0.161292 -0.171704 -0.161292 -0.179315 -0.171704 -0.179315 -0.161292 -0.171704
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-0.161292 -0.161292 -0.171704 -0.179315 -0.179315 -0.171704 -0.161292 -0.179315
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|
|
|
-0.179315 -0.200285 -0.152859 -0.179315 -0.229139 -0.152859 -0.161292 -1.280114
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|
-0.152859 -0.161292 -0.200285 -0.152859 -0.179315 -0.200285 -0.152859 -0.161292
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|
-0.200285 -0.157499 -0.179315 -0.200285 -0.156452 -0.161292 -0.200285 -0.152859
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|
|
|
-0.161292 -0.152859 -0.200285 -0.179315 -0.152859 -0.229139 -0.161292 -0.152859
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|
-1.280114 -0.179315 -0.152859 -0.200285 -0.161292 -0.152859 -0.200285 -0.161292
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|
-0.157499 -0.200285 -0.179315 -0.156452 -0.200285 -0.179315 -0.152859 -0.200285
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|
|
|
-0.180338 -0.179315 -0.179315 -0.171704 -0.179315 -0.161292 -0.171704 -0.161292
|
|
-0.179315 -1.421461 -0.161292 -0.161292 -0.171704 -0.161292 -0.161292 -0.171704
|
|
-0.179315 -0.161292 -0.171704 -0.161292 -0.179315 -0.171704 -0.179315 -0.179315
|
|
|
|
-0.179315 -0.229139 -0.152859 -0.179315 -0.200285 -0.152859 -0.161292 -0.200285
|
|
-0.152859 -0.161292 -1.280114 -0.152859 -0.161292 -0.200285 -0.157499 -0.179315
|
|
-0.200285 -0.152859 -0.161292 -0.200285 -0.152859 -0.179315 -0.200285 -0.156452
|
|
|
|
-0.179315 -0.152859 -0.229139 -0.161292 -0.152859 -0.200285 -0.179315 -0.152859
|
|
-0.200285 -0.161292 -0.152859 -1.280114 -0.161292 -0.157499 -0.200285 -0.161292
|
|
-0.152859 -0.200285 -0.179315 -0.152859 -0.200285 -0.179315 -0.156452 -0.200285
|
|
|
|
-0.171704 -0.179315 -0.179315 -0.171704 -0.161292 -0.179315 -0.171704 -0.179315
|
|
-0.161292 -0.171704 -0.161292 -0.161292 -1.421461 -0.161292 -0.161292 -0.171704
|
|
-0.161292 -0.179315 -0.171704 -0.179315 -0.161292 -0.180338 -0.179315 -0.179315
|
|
|
|
-0.179315 -0.200285 -0.156452 -0.161292 -0.200285 -0.152859 -0.179315 -0.200285
|
|
-0.152859 -0.161292 -0.200285 -0.157499 -0.161292 -1.280114 -0.152859 -0.161292
|
|
-0.200285 -0.152859 -0.179315 -0.200285 -0.152859 -0.179315 -0.229139 -0.152859
|
|
|
|
-0.179315 -0.156452 -0.200285 -0.179315 -0.152859 -0.200285 -0.161292 -0.152859
|
|
-0.200285 -0.161292 -0.157499 -0.200285 -0.161292 -0.152859 -1.280114 -0.179315
|
|
-0.152859 -0.200285 -0.161292 -0.152859 -0.200285 -0.179315 -0.152859 -0.229139
|
|
|
|
-0.171704 -0.161292 -0.179315 -0.171704 -0.179315 -0.179315 -0.171704 -0.161292
|
|
-0.161292 -0.171704 -0.179315 -0.161292 -0.171704 -0.161292 -0.179315 -1.421461
|
|
-0.161292 -0.161292 -0.180338 -0.179315 -0.179315 -0.171704 -0.179315 -0.161292
|
|
|
|
-0.161292 -0.200285 -0.152859 -0.179315 -0.200285 -0.156452 -0.161292 -0.200285
|
|
-0.157499 -0.179315 -0.200285 -0.152859 -0.161292 -0.200285 -0.152859 -0.161292
|
|
-1.280114 -0.152859 -0.179315 -0.229139 -0.152859 -0.179315 -0.200285 -0.152859
|
|
|
|
-0.179315 -0.152859 -0.200285 -0.179315 -0.156452 -0.200285 -0.161292 -0.157499
|
|
-0.200285 -0.161292 -0.152859 -0.200285 -0.179315 -0.152859 -0.200285 -0.161292
|
|
-0.152859 -1.280114 -0.179315 -0.152859 -0.229139 -0.161292 -0.152859 -0.200285
|
|
|
|
-0.171704 -0.179315 -0.161292 -0.171704 -0.161292 -0.161292 -0.171704 -0.179315
|
|
-0.179315 -0.171704 -0.161292 -0.179315 -0.171704 -0.179315 -0.161292 -0.180338
|
|
-0.179315 -0.179315 -1.421461 -0.161292 -0.161292 -0.171704 -0.161292 -0.179315
|
|
|
|
-0.179315 -0.200285 -0.152859 -0.161292 -0.200285 -0.157499 -0.179315 -0.200285
|
|
-0.156452 -0.161292 -0.200285 -0.152859 -0.179315 -0.200285 -0.152859 -0.179315
|
|
-0.229139 -0.152859 -0.161292 -1.280114 -0.152859 -0.161292 -0.200285 -0.152859
|
|
|
|
-0.161292 -0.152859 -0.200285 -0.161292 -0.157499 -0.200285 -0.179315 -0.156452
|
|
-0.200285 -0.179315 -0.152859 -0.200285 -0.161292 -0.152859 -0.200285 -0.179315
|
|
-0.152859 -0.229139 -0.161292 -0.152859 -1.280114 -0.179315 -0.152859 -0.200285
|
|
|
|
-0.171704 -0.161292 -0.161292 -0.171704 -0.179315 -0.161292 -0.171704 -0.161292
|
|
-0.179315 -0.171704 -0.179315 -0.179315 -0.180338 -0.179315 -0.179315 -0.171704
|
|
-0.179315 -0.161292 -0.171704 -0.161292 -0.179315 -1.421461 -0.161292 -0.161292
|
|
|
|
-0.161292 -0.200285 -0.157499 -0.179315 -0.200285 -0.152859 -0.161292 -0.200285
|
|
-0.152859 -0.179315 -0.200285 -0.156452 -0.179315 -0.229139 -0.152859 -0.179315
|
|
-0.200285 -0.152859 -0.161292 -0.200285 -0.152859 -0.161292 -1.280114 -0.152859
|
|
|
|
-0.161292 -0.157499 -0.200285 -0.161292 -0.152859 -0.200285 -0.179315 -0.152859
|
|
-0.200285 -0.179315 -0.156452 -0.200285 -0.179315 -0.152859 -0.229139 -0.161292
|
|
-0.152859 -0.200285 -0.179315 -0.152859 -0.200285 -0.161292 -0.152859 -1.280114
|
|
|
|
|
|
chi^{-1} matrix :
|
|
-6.441625 -0.005528 -0.005528 -0.088151 -0.005528 -0.395318 -0.088151 -0.395318
|
|
-0.005528 -0.102807 -0.395318 -0.395318 -0.088151 -0.395318 -0.395318 -0.088151
|
|
-0.005528 -0.395318 -0.088151 -0.395318 -0.005528 -0.088151 -0.005528 -0.005528
|
|
|
|
-0.005528 -9.627640 -0.124702 -0.005528 -0.143528 -0.124702 -0.395318 -0.143528
|
|
-0.124702 -0.395318 -0.238043 -0.124702 -0.395318 -0.143528 0.081910 -0.005528
|
|
-0.143528 -0.124702 -0.395318 -0.143528 -0.124702 -0.005528 -0.143528 -0.013966
|
|
|
|
-0.005528 -0.124702 -9.627640 -0.395318 -0.124702 -0.143528 -0.005528 -0.124702
|
|
-0.143528 -0.395318 -0.124702 -0.238043 -0.395318 0.081910 -0.143528 -0.395318
|
|
-0.124702 -0.143528 -0.005528 -0.124702 -0.143528 -0.005528 -0.013966 -0.143528
|
|
|
|
-0.088151 -0.005528 -0.395318 -6.441625 -0.005528 -0.005528 -0.102807 -0.395318
|
|
-0.395318 -0.088151 -0.395318 -0.005528 -0.088151 -0.005528 -0.395318 -0.088151
|
|
-0.395318 -0.395318 -0.088151 -0.005528 -0.005528 -0.088151 -0.395318 -0.005528
|
|
|
|
-0.005528 -0.143528 -0.124702 -0.005528 -9.627640 -0.124702 -0.395318 -0.238043
|
|
-0.124702 -0.395318 -0.143528 -0.124702 -0.005528 -0.143528 -0.124702 -0.395318
|
|
-0.143528 0.081910 -0.005528 -0.143528 -0.013966 -0.395318 -0.143528 -0.124702
|
|
|
|
-0.395318 -0.124702 -0.143528 -0.005528 -0.124702 -9.627640 -0.395318 -0.124702
|
|
-0.238043 -0.005528 -0.124702 -0.143528 -0.395318 -0.124702 -0.143528 -0.395318
|
|
0.081910 -0.143528 -0.005528 -0.013966 -0.143528 -0.005528 -0.124702 -0.143528
|
|
|
|
-0.088151 -0.395318 -0.005528 -0.102807 -0.395318 -0.395318 -6.441625 -0.005528
|
|
-0.005528 -0.088151 -0.005528 -0.395318 -0.088151 -0.395318 -0.005528 -0.088151
|
|
-0.005528 -0.005528 -0.088151 -0.395318 -0.395318 -0.088151 -0.005528 -0.395318
|
|
|
|
-0.395318 -0.143528 -0.124702 -0.395318 -0.238043 -0.124702 -0.005528 -9.627640
|
|
-0.124702 -0.005528 -0.143528 -0.124702 -0.395318 -0.143528 -0.124702 -0.005528
|
|
-0.143528 -0.013966 -0.395318 -0.143528 0.081910 -0.005528 -0.143528 -0.124702
|
|
|
|
-0.005528 -0.124702 -0.143528 -0.395318 -0.124702 -0.238043 -0.005528 -0.124702
|
|
-9.627640 -0.395318 -0.124702 -0.143528 -0.005528 -0.124702 -0.143528 -0.005528
|
|
-0.013966 -0.143528 -0.395318 0.081910 -0.143528 -0.395318 -0.124702 -0.143528
|
|
|
|
-0.102807 -0.395318 -0.395318 -0.088151 -0.395318 -0.005528 -0.088151 -0.005528
|
|
-0.395318 -6.441625 -0.005528 -0.005528 -0.088151 -0.005528 -0.005528 -0.088151
|
|
-0.395318 -0.005528 -0.088151 -0.005528 -0.395318 -0.088151 -0.395318 -0.395318
|
|
|
|
-0.395318 -0.238043 -0.124702 -0.395318 -0.143528 -0.124702 -0.005528 -0.143528
|
|
-0.124702 -0.005528 -9.627640 -0.124702 -0.005528 -0.143528 -0.013966 -0.395318
|
|
-0.143528 -0.124702 -0.005528 -0.143528 -0.124702 -0.395318 -0.143528 0.081910
|
|
|
|
-0.395318 -0.124702 -0.238043 -0.005528 -0.124702 -0.143528 -0.395318 -0.124702
|
|
-0.143528 -0.005528 -0.124702 -9.627640 -0.005528 -0.013966 -0.143528 -0.005528
|
|
-0.124702 -0.143528 -0.395318 -0.124702 -0.143528 -0.395318 0.081910 -0.143528
|
|
|
|
-0.088151 -0.395318 -0.395318 -0.088151 -0.005528 -0.395318 -0.088151 -0.395318
|
|
-0.005528 -0.088151 -0.005528 -0.005528 -6.441625 -0.005528 -0.005528 -0.088151
|
|
-0.005528 -0.395318 -0.088151 -0.395318 -0.005528 -0.102807 -0.395318 -0.395318
|
|
|
|
-0.395318 -0.143528 0.081910 -0.005528 -0.143528 -0.124702 -0.395318 -0.143528
|
|
-0.124702 -0.005528 -0.143528 -0.013966 -0.005528 -9.627640 -0.124702 -0.005528
|
|
-0.143528 -0.124702 -0.395318 -0.143528 -0.124702 -0.395318 -0.238043 -0.124702
|
|
|
|
-0.395318 0.081910 -0.143528 -0.395318 -0.124702 -0.143528 -0.005528 -0.124702
|
|
-0.143528 -0.005528 -0.013966 -0.143528 -0.005528 -0.124702 -9.627640 -0.395318
|
|
-0.124702 -0.143528 -0.005528 -0.124702 -0.143528 -0.395318 -0.124702 -0.238043
|
|
|
|
-0.088151 -0.005528 -0.395318 -0.088151 -0.395318 -0.395318 -0.088151 -0.005528
|
|
-0.005528 -0.088151 -0.395318 -0.005528 -0.088151 -0.005528 -0.395318 -6.441625
|
|
-0.005528 -0.005528 -0.102807 -0.395318 -0.395318 -0.088151 -0.395318 -0.005528
|
|
|
|
-0.005528 -0.143528 -0.124702 -0.395318 -0.143528 0.081910 -0.005528 -0.143528
|
|
-0.013966 -0.395318 -0.143528 -0.124702 -0.005528 -0.143528 -0.124702 -0.005528
|
|
-9.627640 -0.124702 -0.395318 -0.238043 -0.124702 -0.395318 -0.143528 -0.124702
|
|
|
|
-0.395318 -0.124702 -0.143528 -0.395318 0.081910 -0.143528 -0.005528 -0.013966
|
|
-0.143528 -0.005528 -0.124702 -0.143528 -0.395318 -0.124702 -0.143528 -0.005528
|
|
-0.124702 -9.627640 -0.395318 -0.124702 -0.238043 -0.005528 -0.124702 -0.143528
|
|
|
|
-0.088151 -0.395318 -0.005528 -0.088151 -0.005528 -0.005528 -0.088151 -0.395318
|
|
-0.395318 -0.088151 -0.005528 -0.395318 -0.088151 -0.395318 -0.005528 -0.102807
|
|
-0.395318 -0.395318 -6.441625 -0.005528 -0.005528 -0.088151 -0.005528 -0.395318
|
|
|
|
-0.395318 -0.143528 -0.124702 -0.005528 -0.143528 -0.013966 -0.395318 -0.143528
|
|
0.081910 -0.005528 -0.143528 -0.124702 -0.395318 -0.143528 -0.124702 -0.395318
|
|
-0.238043 -0.124702 -0.005528 -9.627640 -0.124702 -0.005528 -0.143528 -0.124702
|
|
|
|
-0.005528 -0.124702 -0.143528 -0.005528 -0.013966 -0.143528 -0.395318 0.081910
|
|
-0.143528 -0.395318 -0.124702 -0.143528 -0.005528 -0.124702 -0.143528 -0.395318
|
|
-0.124702 -0.238043 -0.005528 -0.124702 -9.627640 -0.395318 -0.124702 -0.143528
|
|
|
|
-0.088151 -0.005528 -0.005528 -0.088151 -0.395318 -0.005528 -0.088151 -0.005528
|
|
-0.395318 -0.088151 -0.395318 -0.395318 -0.102807 -0.395318 -0.395318 -0.088151
|
|
-0.395318 -0.005528 -0.088151 -0.005528 -0.395318 -6.441625 -0.005528 -0.005528
|
|
|
|
-0.005528 -0.143528 -0.013966 -0.395318 -0.143528 -0.124702 -0.005528 -0.143528
|
|
-0.124702 -0.395318 -0.143528 0.081910 -0.395318 -0.238043 -0.124702 -0.395318
|
|
-0.143528 -0.124702 -0.005528 -0.143528 -0.124702 -0.005528 -9.627640 -0.124702
|
|
|
|
-0.005528 -0.013966 -0.143528 -0.005528 -0.124702 -0.143528 -0.395318 -0.124702
|
|
-0.143528 -0.395318 0.081910 -0.143528 -0.395318 -0.124702 -0.238043 -0.005528
|
|
-0.124702 -0.143528 -0.395318 -0.124702 -0.143528 -0.005528 -0.124702 -9.627640
|
|
|
|
|
|
Hubbard matrix :
|
|
5.020165 -0.155764 -0.155764 -0.083553 -0.155764 0.216003 -0.083553 0.216003
|
|
-0.155764 -0.077531 0.216003 0.216003 -0.083553 0.216003 0.216003 -0.083553
|
|
-0.155764 0.216003 -0.083553 0.216003 -0.155764 -0.083553 -0.155764 -0.155764
|
|
|
|
-0.155764 8.347527 -0.028157 -0.155764 -0.056757 -0.028157 0.216003 -0.056757
|
|
-0.028157 0.216003 0.008904 -0.028157 0.216003 -0.056757 -0.238362 -0.155764
|
|
-0.056757 -0.028157 0.216003 -0.056757 -0.028157 -0.155764 -0.056757 -0.143532
|
|
|
|
-0.155764 -0.028157 8.347527 0.216003 -0.028157 -0.056757 -0.155764 -0.028157
|
|
-0.056757 0.216003 -0.028157 0.008904 0.216003 -0.238362 -0.056757 0.216003
|
|
-0.028157 -0.056757 -0.155764 -0.028157 -0.056757 -0.155764 -0.143532 -0.056757
|
|
|
|
-0.083553 -0.155764 0.216003 5.020165 -0.155764 -0.155764 -0.077531 0.216003
|
|
0.216003 -0.083553 0.216003 -0.155764 -0.083553 -0.155764 0.216003 -0.083553
|
|
0.216003 0.216003 -0.083553 -0.155764 -0.155764 -0.083553 0.216003 -0.155764
|
|
|
|
-0.155764 -0.056757 -0.028157 -0.155764 8.347527 -0.028157 0.216003 0.008904
|
|
-0.028157 0.216003 -0.056757 -0.028157 -0.155764 -0.056757 -0.028157 0.216003
|
|
-0.056757 -0.238362 -0.155764 -0.056757 -0.143532 0.216003 -0.056757 -0.028157
|
|
|
|
0.216003 -0.028157 -0.056757 -0.155764 -0.028157 8.347527 0.216003 -0.028157
|
|
0.008904 -0.155764 -0.028157 -0.056757 0.216003 -0.028157 -0.056757 0.216003
|
|
-0.238362 -0.056757 -0.155764 -0.143532 -0.056757 -0.155764 -0.028157 -0.056757
|
|
|
|
-0.083553 0.216003 -0.155764 -0.077531 0.216003 0.216003 5.020165 -0.155764
|
|
-0.155764 -0.083553 -0.155764 0.216003 -0.083553 0.216003 -0.155764 -0.083553
|
|
-0.155764 -0.155764 -0.083553 0.216003 0.216003 -0.083553 -0.155764 0.216003
|
|
|
|
0.216003 -0.056757 -0.028157 0.216003 0.008904 -0.028157 -0.155764 8.347527
|
|
-0.028157 -0.155764 -0.056757 -0.028157 0.216003 -0.056757 -0.028157 -0.155764
|
|
-0.056757 -0.143532 0.216003 -0.056757 -0.238362 -0.155764 -0.056757 -0.028157
|
|
|
|
-0.155764 -0.028157 -0.056757 0.216003 -0.028157 0.008904 -0.155764 -0.028157
|
|
8.347527 0.216003 -0.028157 -0.056757 -0.155764 -0.028157 -0.056757 -0.155764
|
|
-0.143532 -0.056757 0.216003 -0.238362 -0.056757 0.216003 -0.028157 -0.056757
|
|
|
|
-0.077531 0.216003 0.216003 -0.083553 0.216003 -0.155764 -0.083553 -0.155764
|
|
0.216003 5.020165 -0.155764 -0.155764 -0.083553 -0.155764 -0.155764 -0.083553
|
|
0.216003 -0.155764 -0.083553 -0.155764 0.216003 -0.083553 0.216003 0.216003
|
|
|
|
0.216003 0.008904 -0.028157 0.216003 -0.056757 -0.028157 -0.155764 -0.056757
|
|
-0.028157 -0.155764 8.347527 -0.028157 -0.155764 -0.056757 -0.143532 0.216003
|
|
-0.056757 -0.028157 -0.155764 -0.056757 -0.028157 0.216003 -0.056757 -0.238362
|
|
|
|
0.216003 -0.028157 0.008904 -0.155764 -0.028157 -0.056757 0.216003 -0.028157
|
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