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quantum-espresso/HP/examples/example02/reference/NiO.Hubbard_parameters.dat

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=-------------------------------------------------------------------=
Hubbard U parameters:
site n. type label spin new_type new_label Hubbard U (eV)
1 1 Ni1 1 1 Ni1 7.9401
2 2 Ni2 -1 1 Ni1 7.9401
=-------------------------------------------------------------------=
chi0 matrix :
-0.437607 0.001934 0.001279 0.062802 0.001279 0.001934 0.028463 0.001934
0.001279 0.001934 0.028463 0.001934 0.028463 0.062802 0.071252 0.001934
0.001934 -0.437607 0.062802 0.001279 0.001934 0.001279 0.001934 0.028463
0.001934 0.001279 0.001934 0.028463 0.062802 0.028463 0.001934 0.071252
0.001279 0.062802 -0.437607 0.001934 0.028463 0.001934 0.001279 0.001934
0.028463 0.001934 0.001279 0.001934 0.071252 0.001934 0.028463 0.062802
0.062802 0.001279 0.001934 -0.437607 0.001934 0.028463 0.001934 0.001279
0.001934 0.028463 0.001934 0.001279 0.001934 0.071252 0.062802 0.028463
0.001279 0.001934 0.028463 0.001934 -0.437607 0.001934 0.001279 0.062802
0.028463 0.062802 0.071252 0.001934 0.001279 0.001934 0.028463 0.001934
0.001934 0.001279 0.001934 0.028463 0.001934 -0.437607 0.062802 0.001279
0.062802 0.028463 0.001934 0.071252 0.001934 0.001279 0.001934 0.028463
0.028463 0.001934 0.001279 0.001934 0.001279 0.062802 -0.437607 0.001934
0.071252 0.001934 0.028463 0.062802 0.028463 0.001934 0.001279 0.001934
0.001934 0.028463 0.001934 0.001279 0.062802 0.001279 0.001934 -0.437607
0.001934 0.071252 0.062802 0.028463 0.001934 0.028463 0.001934 0.001279
0.001279 0.001934 0.028463 0.001934 0.028463 0.062802 0.071252 0.001934
-0.437607 0.001934 0.001279 0.062802 0.001279 0.001934 0.028463 0.001934
0.001934 0.001279 0.001934 0.028463 0.062802 0.028463 0.001934 0.071252
0.001934 -0.437607 0.062802 0.001279 0.001934 0.001279 0.001934 0.028463
0.028463 0.001934 0.001279 0.001934 0.071252 0.001934 0.028463 0.062802
0.001279 0.062802 -0.437607 0.001934 0.028463 0.001934 0.001279 0.001934
0.001934 0.028463 0.001934 0.001279 0.001934 0.071252 0.062802 0.028463
0.062802 0.001279 0.001934 -0.437607 0.001934 0.028463 0.001934 0.001279
0.028463 0.062802 0.071252 0.001934 0.001279 0.001934 0.028463 0.001934
0.001279 0.001934 0.028463 0.001934 -0.437607 0.001934 0.001279 0.062802
0.062802 0.028463 0.001934 0.071252 0.001934 0.001279 0.001934 0.028463
0.001934 0.001279 0.001934 0.028463 0.001934 -0.437607 0.062802 0.001279
0.071252 0.001934 0.028463 0.062802 0.028463 0.001934 0.001279 0.001934
0.028463 0.001934 0.001279 0.001934 0.001279 0.062802 -0.437607 0.001934
0.001934 0.071252 0.062802 0.028463 0.001934 0.028463 0.001934 0.001279
0.001934 0.028463 0.001934 0.001279 0.062802 0.001279 0.001934 -0.437607
chi matrix :
-0.095541 0.001172 0.000043 0.001609 0.000043 0.001172 0.003854 0.001172
0.000043 0.001172 0.003854 0.001172 0.003854 0.001609 0.004602 0.001172
0.001172 -0.095541 0.001609 0.000043 0.001172 0.000043 0.001172 0.003854
0.001172 0.000043 0.001172 0.003854 0.001609 0.003854 0.001172 0.004602
0.000043 0.001609 -0.095541 0.001172 0.003854 0.001172 0.000043 0.001172
0.003854 0.001172 0.000043 0.001172 0.004602 0.001172 0.003854 0.001609
0.001609 0.000043 0.001172 -0.095541 0.001172 0.003854 0.001172 0.000043
0.001172 0.003854 0.001172 0.000043 0.001172 0.004602 0.001609 0.003854
0.000043 0.001172 0.003854 0.001172 -0.095541 0.001172 0.000043 0.001609
0.003854 0.001609 0.004602 0.001172 0.000043 0.001172 0.003854 0.001172
0.001172 0.000043 0.001172 0.003854 0.001172 -0.095541 0.001609 0.000043
0.001609 0.003854 0.001172 0.004602 0.001172 0.000043 0.001172 0.003854
0.003854 0.001172 0.000043 0.001172 0.000043 0.001609 -0.095541 0.001172
0.004602 0.001172 0.003854 0.001609 0.003854 0.001172 0.000043 0.001172
0.001172 0.003854 0.001172 0.000043 0.001609 0.000043 0.001172 -0.095541
0.001172 0.004602 0.001609 0.003854 0.001172 0.003854 0.001172 0.000043
0.000043 0.001172 0.003854 0.001172 0.003854 0.001609 0.004602 0.001172
-0.095541 0.001172 0.000043 0.001609 0.000043 0.001172 0.003854 0.001172
0.001172 0.000043 0.001172 0.003854 0.001609 0.003854 0.001172 0.004602
0.001172 -0.095541 0.001609 0.000043 0.001172 0.000043 0.001172 0.003854
0.003854 0.001172 0.000043 0.001172 0.004602 0.001172 0.003854 0.001609
0.000043 0.001609 -0.095541 0.001172 0.003854 0.001172 0.000043 0.001172
0.001172 0.003854 0.001172 0.000043 0.001172 0.004602 0.001609 0.003854
0.001609 0.000043 0.001172 -0.095541 0.001172 0.003854 0.001172 0.000043
0.003854 0.001609 0.004602 0.001172 0.000043 0.001172 0.003854 0.001172
0.000043 0.001172 0.003854 0.001172 -0.095541 0.001172 0.000043 0.001609
0.001609 0.003854 0.001172 0.004602 0.001172 0.000043 0.001172 0.003854
0.001172 0.000043 0.001172 0.003854 0.001172 -0.095541 0.001609 0.000043
0.004602 0.001172 0.003854 0.001609 0.003854 0.001172 0.000043 0.001172
0.003854 0.001172 0.000043 0.001172 0.000043 0.001609 -0.095541 0.001172
0.001172 0.004602 0.001609 0.003854 0.001172 0.003854 0.001172 0.000043
0.001172 0.003854 0.001172 0.000043 0.001609 0.000043 0.001172 -0.095541
chi0^{-1} matrix :
-2.635129 -0.188749 -0.189705 -0.617172 -0.189705 -0.188749 -0.308384 -0.188749
-0.189705 -0.188749 -0.308384 -0.188749 -0.308384 -0.617172 -0.650930 -0.188749
-0.188749 -2.635129 -0.617172 -0.189705 -0.188749 -0.189705 -0.188749 -0.308384
-0.188749 -0.189705 -0.188749 -0.308384 -0.617172 -0.308384 -0.188749 -0.650930
-0.189705 -0.617172 -2.635129 -0.188749 -0.308384 -0.188749 -0.189705 -0.188749
-0.308384 -0.188749 -0.189705 -0.188749 -0.650930 -0.188749 -0.308384 -0.617172
-0.617172 -0.189705 -0.188749 -2.635129 -0.188749 -0.308384 -0.188749 -0.189705
-0.188749 -0.308384 -0.188749 -0.189705 -0.188749 -0.650930 -0.617172 -0.308384
-0.189705 -0.188749 -0.308384 -0.188749 -2.635129 -0.188749 -0.189705 -0.617172
-0.308384 -0.617172 -0.650930 -0.188749 -0.189705 -0.188749 -0.308384 -0.188749
-0.188749 -0.189705 -0.188749 -0.308384 -0.188749 -2.635129 -0.617172 -0.189705
-0.617172 -0.308384 -0.188749 -0.650930 -0.188749 -0.189705 -0.188749 -0.308384
-0.308384 -0.188749 -0.189705 -0.188749 -0.189705 -0.617172 -2.635129 -0.188749
-0.650930 -0.188749 -0.308384 -0.617172 -0.308384 -0.188749 -0.189705 -0.188749
-0.188749 -0.308384 -0.188749 -0.189705 -0.617172 -0.189705 -0.188749 -2.635129
-0.188749 -0.650930 -0.617172 -0.308384 -0.188749 -0.308384 -0.188749 -0.189705
-0.189705 -0.188749 -0.308384 -0.188749 -0.308384 -0.617172 -0.650930 -0.188749
-2.635129 -0.188749 -0.189705 -0.617172 -0.189705 -0.188749 -0.308384 -0.188749
-0.188749 -0.189705 -0.188749 -0.308384 -0.617172 -0.308384 -0.188749 -0.650930
-0.188749 -2.635129 -0.617172 -0.189705 -0.188749 -0.189705 -0.188749 -0.308384
-0.308384 -0.188749 -0.189705 -0.188749 -0.650930 -0.188749 -0.308384 -0.617172
-0.189705 -0.617172 -2.635129 -0.188749 -0.308384 -0.188749 -0.189705 -0.188749
-0.188749 -0.308384 -0.188749 -0.189705 -0.188749 -0.650930 -0.617172 -0.308384
-0.617172 -0.189705 -0.188749 -2.635129 -0.188749 -0.308384 -0.188749 -0.189705
-0.308384 -0.617172 -0.650930 -0.188749 -0.189705 -0.188749 -0.308384 -0.188749
-0.189705 -0.188749 -0.308384 -0.188749 -2.635129 -0.188749 -0.189705 -0.617172
-0.617172 -0.308384 -0.188749 -0.650930 -0.188749 -0.189705 -0.188749 -0.308384
-0.188749 -0.189705 -0.188749 -0.308384 -0.188749 -2.635129 -0.617172 -0.189705
-0.650930 -0.188749 -0.308384 -0.617172 -0.308384 -0.188749 -0.189705 -0.188749
-0.308384 -0.188749 -0.189705 -0.188749 -0.189705 -0.617172 -2.635129 -0.188749
-0.188749 -0.650930 -0.617172 -0.308384 -0.188749 -0.308384 -0.188749 -0.189705
-0.188749 -0.308384 -0.188749 -0.189705 -0.617172 -0.189705 -0.188749 -2.635129
chi^{-1} matrix :
-10.575209 -0.195349 -0.079433 -0.244002 -0.079433 -0.195349 -0.492656 -0.195349
-0.079433 -0.195349 -0.492656 -0.195349 -0.492656 -0.244002 -0.542310 -0.195349
-0.195349 -10.575209 -0.244002 -0.079433 -0.195349 -0.079433 -0.195349 -0.492656
-0.195349 -0.079433 -0.195349 -0.492656 -0.244002 -0.492656 -0.195349 -0.542310
-0.079433 -0.244002 -10.575209 -0.195349 -0.492656 -0.195349 -0.079433 -0.195349
-0.492656 -0.195349 -0.079433 -0.195349 -0.542310 -0.195349 -0.492656 -0.244002
-0.244002 -0.079433 -0.195349 -10.575209 -0.195349 -0.492656 -0.195349 -0.079433
-0.195349 -0.492656 -0.195349 -0.079433 -0.195349 -0.542310 -0.244002 -0.492656
-0.079433 -0.195349 -0.492656 -0.195349 -10.575209 -0.195349 -0.079433 -0.244002
-0.492656 -0.244002 -0.542310 -0.195349 -0.079433 -0.195349 -0.492656 -0.195349
-0.195349 -0.079433 -0.195349 -0.492656 -0.195349 -10.575209 -0.244002 -0.079433
-0.244002 -0.492656 -0.195349 -0.542310 -0.195349 -0.079433 -0.195349 -0.492656
-0.492656 -0.195349 -0.079433 -0.195349 -0.079433 -0.244002 -10.575209 -0.195349
-0.542310 -0.195349 -0.492656 -0.244002 -0.492656 -0.195349 -0.079433 -0.195349
-0.195349 -0.492656 -0.195349 -0.079433 -0.244002 -0.079433 -0.195349 -10.575209
-0.195349 -0.542310 -0.244002 -0.492656 -0.195349 -0.492656 -0.195349 -0.079433
-0.079433 -0.195349 -0.492656 -0.195349 -0.492656 -0.244002 -0.542310 -0.195349
-10.575209 -0.195349 -0.079433 -0.244002 -0.079433 -0.195349 -0.492656 -0.195349
-0.195349 -0.079433 -0.195349 -0.492656 -0.244002 -0.492656 -0.195349 -0.542310
-0.195349 -10.575209 -0.244002 -0.079433 -0.195349 -0.079433 -0.195349 -0.492656
-0.492656 -0.195349 -0.079433 -0.195349 -0.542310 -0.195349 -0.492656 -0.244002
-0.079433 -0.244002 -10.575209 -0.195349 -0.492656 -0.195349 -0.079433 -0.195349
-0.195349 -0.492656 -0.195349 -0.079433 -0.195349 -0.542310 -0.244002 -0.492656
-0.244002 -0.079433 -0.195349 -10.575209 -0.195349 -0.492656 -0.195349 -0.079433
-0.492656 -0.244002 -0.542310 -0.195349 -0.079433 -0.195349 -0.492656 -0.195349
-0.079433 -0.195349 -0.492656 -0.195349 -10.575209 -0.195349 -0.079433 -0.244002
-0.244002 -0.492656 -0.195349 -0.542310 -0.195349 -0.079433 -0.195349 -0.492656
-0.195349 -0.079433 -0.195349 -0.492656 -0.195349 -10.575209 -0.244002 -0.079433
-0.542310 -0.195349 -0.492656 -0.244002 -0.492656 -0.195349 -0.079433 -0.195349
-0.492656 -0.195349 -0.079433 -0.195349 -0.079433 -0.244002 -10.575209 -0.195349
-0.195349 -0.542310 -0.244002 -0.492656 -0.195349 -0.492656 -0.195349 -0.079433
-0.195349 -0.492656 -0.195349 -0.079433 -0.244002 -0.079433 -0.195349 -10.575209
Hubbard matrix :
7.940081 0.006600 -0.110273 -0.373170 -0.110273 0.006600 0.184271 0.006600
-0.110273 0.006600 0.184271 0.006600 0.184271 -0.373170 -0.108620 0.006600
0.006600 7.940081 -0.373170 -0.110273 0.006600 -0.110273 0.006600 0.184271
0.006600 -0.110273 0.006600 0.184271 -0.373170 0.184271 0.006600 -0.108620
-0.110273 -0.373170 7.940081 0.006600 0.184271 0.006600 -0.110273 0.006600
0.184271 0.006600 -0.110273 0.006600 -0.108620 0.006600 0.184271 -0.373170
-0.373170 -0.110273 0.006600 7.940081 0.006600 0.184271 0.006600 -0.110273
0.006600 0.184271 0.006600 -0.110273 0.006600 -0.108620 -0.373170 0.184271
-0.110273 0.006600 0.184271 0.006600 7.940081 0.006600 -0.110273 -0.373170
0.184271 -0.373170 -0.108620 0.006600 -0.110273 0.006600 0.184271 0.006600
0.006600 -0.110273 0.006600 0.184271 0.006600 7.940081 -0.373170 -0.110273
-0.373170 0.184271 0.006600 -0.108620 0.006600 -0.110273 0.006600 0.184271
0.184271 0.006600 -0.110273 0.006600 -0.110273 -0.373170 7.940081 0.006600
-0.108620 0.006600 0.184271 -0.373170 0.184271 0.006600 -0.110273 0.006600
0.006600 0.184271 0.006600 -0.110273 -0.373170 -0.110273 0.006600 7.940081
0.006600 -0.108620 -0.373170 0.184271 0.006600 0.184271 0.006600 -0.110273
-0.110273 0.006600 0.184271 0.006600 0.184271 -0.373170 -0.108620 0.006600
7.940081 0.006600 -0.110273 -0.373170 -0.110273 0.006600 0.184271 0.006600
0.006600 -0.110273 0.006600 0.184271 -0.373170 0.184271 0.006600 -0.108620
0.006600 7.940081 -0.373170 -0.110273 0.006600 -0.110273 0.006600 0.184271
0.184271 0.006600 -0.110273 0.006600 -0.108620 0.006600 0.184271 -0.373170
-0.110273 -0.373170 7.940081 0.006600 0.184271 0.006600 -0.110273 0.006600
0.006600 0.184271 0.006600 -0.110273 0.006600 -0.108620 -0.373170 0.184271
-0.373170 -0.110273 0.006600 7.940081 0.006600 0.184271 0.006600 -0.110273
0.184271 -0.373170 -0.108620 0.006600 -0.110273 0.006600 0.184271 0.006600
-0.110273 0.006600 0.184271 0.006600 7.940081 0.006600 -0.110273 -0.373170
-0.373170 0.184271 0.006600 -0.108620 0.006600 -0.110273 0.006600 0.184271
0.006600 -0.110273 0.006600 0.184271 0.006600 7.940081 -0.373170 -0.110273
-0.108620 0.006600 0.184271 -0.373170 0.184271 0.006600 -0.110273 0.006600
0.184271 0.006600 -0.110273 0.006600 -0.110273 -0.373170 7.940081 0.006600
0.006600 -0.108620 -0.373170 0.184271 0.006600 0.184271 0.006600 -0.110273
0.006600 0.184271 0.006600 -0.110273 -0.373170 -0.110273 0.006600 7.940081
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