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|
=-------------------------------------------------------------------=
Hubbard U parameters:
site n. type label spin new_type new_label Hubbard U (eV)
1 1 Co -1 1 Co 6.9326
=-------------------------------------------------------------------=
chi0 matrix :
-1.413949 0.336674 0.336674 0.336674
0.336674 -1.413949 0.336674 0.336674
0.336674 0.336674 -1.413949 0.336674
0.336674 0.336674 0.336674 -1.413949
chi matrix :
-0.126462 0.006584 0.006584 0.006584
0.006584 -0.126462 0.006584 0.006584
0.006584 0.006584 -0.126462 0.006584
0.006584 0.006584 0.006584 -0.126462
chi0^{-1} matrix :
-1.047344 -0.476119 -0.476119 -0.476119
-0.476119 -1.047344 -0.476119 -0.476119
-0.476119 -0.476119 -1.047344 -0.476119
-0.476119 -0.476119 -0.476119 -1.047344
chi^{-1} matrix :
-7.979926 -0.463759 -0.463759 -0.463759
-0.463759 -7.979926 -0.463759 -0.463759
-0.463759 -0.463759 -7.979926 -0.463759
-0.463759 -0.463759 -0.463759 -7.979926
Hubbard matrix :
6.932582 -0.012359 -0.012359 -0.012359
-0.012359 6.932582 -0.012359 -0.012359
-0.012359 -0.012359 6.932582 -0.012359
-0.012359 -0.012359 -0.012359 6.932582
|
