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=-------------------------------------------------------------------=
Hubbard U parameters:
site n. type label spin new_type new_label Hubbard U (eV)
1 1 Ni 1 1 Ni 8.6465
=-------------------------------------------------------------------=
chi0 matrix :
-0.405656 0.026539 0.026539 0.026539
0.026539 -0.405656 0.026539 0.026539
0.026539 0.026539 -0.405656 0.026539
0.026539 0.026539 0.026539 -0.405656
chi matrix :
-0.089744 0.001168 0.001168 0.001168
0.001168 -0.089744 0.001168 0.001168
0.001168 0.001168 -0.089744 0.001168
0.001168 0.001168 0.001168 -0.089744
chi0^{-1} matrix :
-2.502109 -0.188339 -0.188339 -0.188339
-0.188339 -2.502109 -0.188339 -0.188339
-0.188339 -0.188339 -2.502109 -0.188339
-0.188339 -0.188339 -0.188339 -2.502109
chi^{-1} matrix :
-11.148603 -0.149009 -0.149009 -0.149009
-0.149009 -11.148603 -0.149009 -0.149009
-0.149009 -0.149009 -11.148603 -0.149009
-0.149009 -0.149009 -0.149009 -11.148603
Hubbard matrix :
8.646494 -0.039330 -0.039330 -0.039330
-0.039330 8.646494 -0.039330 -0.039330
-0.039330 -0.039330 8.646494 -0.039330
-0.039330 -0.039330 -0.039330 8.646494
|
