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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 :
-0.437590 0.001934 0.001279 0.062800 0.001279 0.001934 0.028461 0.001934
0.001279 0.001934 0.028461 0.001934 0.028461 0.062800 0.071248 0.001934
0.001934 -0.437590 0.062800 0.001279 0.001934 0.001279 0.001934 0.028461
0.001934 0.001279 0.001934 0.028461 0.062800 0.028461 0.001934 0.071248
0.001279 0.062800 -0.437590 0.001934 0.028461 0.001934 0.001279 0.001934
0.028461 0.001934 0.001279 0.001934 0.071248 0.001934 0.028461 0.062800
0.062800 0.001279 0.001934 -0.437590 0.001934 0.028461 0.001934 0.001279
0.001934 0.028461 0.001934 0.001279 0.001934 0.071248 0.062800 0.028461
0.001279 0.001934 0.028461 0.001934 -0.437590 0.001934 0.001279 0.062800
0.028461 0.062800 0.071248 0.001934 0.001279 0.001934 0.028461 0.001934
0.001934 0.001279 0.001934 0.028461 0.001934 -0.437590 0.062800 0.001279
0.062800 0.028461 0.001934 0.071248 0.001934 0.001279 0.001934 0.028461
0.028461 0.001934 0.001279 0.001934 0.001279 0.062800 -0.437590 0.001934
0.071248 0.001934 0.028461 0.062800 0.028461 0.001934 0.001279 0.001934
0.001934 0.028461 0.001934 0.001279 0.062800 0.001279 0.001934 -0.437590
0.001934 0.071248 0.062800 0.028461 0.001934 0.028461 0.001934 0.001279
0.001279 0.001934 0.028461 0.001934 0.028461 0.062800 0.071248 0.001934
-0.437590 0.001934 0.001279 0.062800 0.001279 0.001934 0.028461 0.001934
0.001934 0.001279 0.001934 0.028461 0.062800 0.028461 0.001934 0.071248
0.001934 -0.437590 0.062800 0.001279 0.001934 0.001279 0.001934 0.028461
0.028461 0.001934 0.001279 0.001934 0.071248 0.001934 0.028461 0.062800
0.001279 0.062800 -0.437590 0.001934 0.028461 0.001934 0.001279 0.001934
0.001934 0.028461 0.001934 0.001279 0.001934 0.071248 0.062800 0.028461
0.062800 0.001279 0.001934 -0.437590 0.001934 0.028461 0.001934 0.001279
0.028461 0.062800 0.071248 0.001934 0.001279 0.001934 0.028461 0.001934
0.001279 0.001934 0.028461 0.001934 -0.437590 0.001934 0.001279 0.062800
0.062800 0.028461 0.001934 0.071248 0.001934 0.001279 0.001934 0.028461
0.001934 0.001279 0.001934 0.028461 0.001934 -0.437590 0.062800 0.001279
0.071248 0.001934 0.028461 0.062800 0.028461 0.001934 0.001279 0.001934
0.028461 0.001934 0.001279 0.001934 0.001279 0.062800 -0.437590 0.001934
0.001934 0.071248 0.062800 0.028461 0.001934 0.028461 0.001934 0.001279
0.001934 0.028461 0.001934 0.001279 0.062800 0.001279 0.001934 -0.437590
chi matrix :
-0.095540 0.001172 0.000043 0.001610 0.000043 0.001172 0.003854 0.001172
0.000043 0.001172 0.003854 0.001172 0.003854 0.001610 0.004602 0.001172
0.001172 -0.095540 0.001610 0.000043 0.001172 0.000043 0.001172 0.003854
0.001172 0.000043 0.001172 0.003854 0.001610 0.003854 0.001172 0.004602
0.000043 0.001610 -0.095540 0.001172 0.003854 0.001172 0.000043 0.001172
0.003854 0.001172 0.000043 0.001172 0.004602 0.001172 0.003854 0.001610
0.001610 0.000043 0.001172 -0.095540 0.001172 0.003854 0.001172 0.000043
0.001172 0.003854 0.001172 0.000043 0.001172 0.004602 0.001610 0.003854
0.000043 0.001172 0.003854 0.001172 -0.095540 0.001172 0.000043 0.001610
0.003854 0.001610 0.004602 0.001172 0.000043 0.001172 0.003854 0.001172
0.001172 0.000043 0.001172 0.003854 0.001172 -0.095540 0.001610 0.000043
0.001610 0.003854 0.001172 0.004602 0.001172 0.000043 0.001172 0.003854
0.003854 0.001172 0.000043 0.001172 0.000043 0.001610 -0.095540 0.001172
0.004602 0.001172 0.003854 0.001610 0.003854 0.001172 0.000043 0.001172
0.001172 0.003854 0.001172 0.000043 0.001610 0.000043 0.001172 -0.095540
0.001172 0.004602 0.001610 0.003854 0.001172 0.003854 0.001172 0.000043
0.000043 0.001172 0.003854 0.001172 0.003854 0.001610 0.004602 0.001172
-0.095540 0.001172 0.000043 0.001610 0.000043 0.001172 0.003854 0.001172
0.001172 0.000043 0.001172 0.003854 0.001610 0.003854 0.001172 0.004602
0.001172 -0.095540 0.001610 0.000043 0.001172 0.000043 0.001172 0.003854
0.003854 0.001172 0.000043 0.001172 0.004602 0.001172 0.003854 0.001610
0.000043 0.001610 -0.095540 0.001172 0.003854 0.001172 0.000043 0.001172
0.001172 0.003854 0.001172 0.000043 0.001172 0.004602 0.001610 0.003854
0.001610 0.000043 0.001172 -0.095540 0.001172 0.003854 0.001172 0.000043
0.003854 0.001610 0.004602 0.001172 0.000043 0.001172 0.003854 0.001172
0.000043 0.001172 0.003854 0.001172 -0.095540 0.001172 0.000043 0.001610
0.001610 0.003854 0.001172 0.004602 0.001172 0.000043 0.001172 0.003854
0.001172 0.000043 0.001172 0.003854 0.001172 -0.095540 0.001610 0.000043
0.004602 0.001172 0.003854 0.001610 0.003854 0.001172 0.000043 0.001172
0.003854 0.001172 0.000043 0.001172 0.000043 0.001610 -0.095540 0.001172
0.001172 0.004602 0.001610 0.003854 0.001172 0.003854 0.001172 0.000043
0.001172 0.003854 0.001172 0.000043 0.001610 0.000043 0.001172 -0.095540
chi0^{-1} matrix :
-2.635216 -0.188740 -0.189695 -0.617184 -0.189695 -0.188740 -0.308373 -0.188740
-0.189695 -0.188740 -0.308373 -0.188740 -0.308373 -0.617184 -0.650936 -0.188740
-0.188740 -2.635216 -0.617184 -0.189695 -0.188740 -0.189695 -0.188740 -0.308373
-0.188740 -0.189695 -0.188740 -0.308373 -0.617184 -0.308373 -0.188740 -0.650936
-0.189695 -0.617184 -2.635216 -0.188740 -0.308373 -0.188740 -0.189695 -0.188740
-0.308373 -0.188740 -0.189695 -0.188740 -0.650936 -0.188740 -0.308373 -0.617184
-0.617184 -0.189695 -0.188740 -2.635216 -0.188740 -0.308373 -0.188740 -0.189695
-0.188740 -0.308373 -0.188740 -0.189695 -0.188740 -0.650936 -0.617184 -0.308373
-0.189695 -0.188740 -0.308373 -0.188740 -2.635216 -0.188740 -0.189695 -0.617184
-0.308373 -0.617184 -0.650936 -0.188740 -0.189695 -0.188740 -0.308373 -0.188740
-0.188740 -0.189695 -0.188740 -0.308373 -0.188740 -2.635216 -0.617184 -0.189695
-0.617184 -0.308373 -0.188740 -0.650936 -0.188740 -0.189695 -0.188740 -0.308373
-0.308373 -0.188740 -0.189695 -0.188740 -0.189695 -0.617184 -2.635216 -0.188740
-0.650936 -0.188740 -0.308373 -0.617184 -0.308373 -0.188740 -0.189695 -0.188740
-0.188740 -0.308373 -0.188740 -0.189695 -0.617184 -0.189695 -0.188740 -2.635216
-0.188740 -0.650936 -0.617184 -0.308373 -0.188740 -0.308373 -0.188740 -0.189695
-0.189695 -0.188740 -0.308373 -0.188740 -0.308373 -0.617184 -0.650936 -0.188740
-2.635216 -0.188740 -0.189695 -0.617184 -0.189695 -0.188740 -0.308373 -0.188740
-0.188740 -0.189695 -0.188740 -0.308373 -0.617184 -0.308373 -0.188740 -0.650936
-0.188740 -2.635216 -0.617184 -0.189695 -0.188740 -0.189695 -0.188740 -0.308373
-0.308373 -0.188740 -0.189695 -0.188740 -0.650936 -0.188740 -0.308373 -0.617184
-0.189695 -0.617184 -2.635216 -0.188740 -0.308373 -0.188740 -0.189695 -0.188740
-0.188740 -0.308373 -0.188740 -0.189695 -0.188740 -0.650936 -0.617184 -0.308373
-0.617184 -0.189695 -0.188740 -2.635216 -0.188740 -0.308373 -0.188740 -0.189695
-0.308373 -0.617184 -0.650936 -0.188740 -0.189695 -0.188740 -0.308373 -0.188740
-0.189695 -0.188740 -0.308373 -0.188740 -2.635216 -0.188740 -0.189695 -0.617184
-0.617184 -0.308373 -0.188740 -0.650936 -0.188740 -0.189695 -0.188740 -0.308373
-0.188740 -0.189695 -0.188740 -0.308373 -0.188740 -2.635216 -0.617184 -0.189695
-0.650936 -0.188740 -0.308373 -0.617184 -0.308373 -0.188740 -0.189695 -0.188740
-0.308373 -0.188740 -0.189695 -0.188740 -0.189695 -0.617184 -2.635216 -0.188740
-0.188740 -0.650936 -0.617184 -0.308373 -0.188740 -0.308373 -0.188740 -0.189695
-0.188740 -0.308373 -0.188740 -0.189695 -0.617184 -0.189695 -0.188740 -2.635216
chi^{-1} matrix :
-10.575283 -0.195343 -0.079425 -0.244006 -0.079425 -0.195343 -0.492640 -0.195343
-0.079425 -0.195343 -0.492640 -0.195343 -0.492640 -0.244006 -0.542314 -0.195343
-0.195343 -10.575283 -0.244006 -0.079425 -0.195343 -0.079425 -0.195343 -0.492640
-0.195343 -0.079425 -0.195343 -0.492640 -0.244006 -0.492640 -0.195343 -0.542314
-0.079425 -0.244006 -10.575283 -0.195343 -0.492640 -0.195343 -0.079425 -0.195343
-0.492640 -0.195343 -0.079425 -0.195343 -0.542314 -0.195343 -0.492640 -0.244006
-0.244006 -0.079425 -0.195343 -10.575283 -0.195343 -0.492640 -0.195343 -0.079425
-0.195343 -0.492640 -0.195343 -0.079425 -0.195343 -0.542314 -0.244006 -0.492640
-0.079425 -0.195343 -0.492640 -0.195343 -10.575283 -0.195343 -0.079425 -0.244006
-0.492640 -0.244006 -0.542314 -0.195343 -0.079425 -0.195343 -0.492640 -0.195343
-0.195343 -0.079425 -0.195343 -0.492640 -0.195343 -10.575283 -0.244006 -0.079425
-0.244006 -0.492640 -0.195343 -0.542314 -0.195343 -0.079425 -0.195343 -0.492640
-0.492640 -0.195343 -0.079425 -0.195343 -0.079425 -0.244006 -10.575283 -0.195343
-0.542314 -0.195343 -0.492640 -0.244006 -0.492640 -0.195343 -0.079425 -0.195343
-0.195343 -0.492640 -0.195343 -0.079425 -0.244006 -0.079425 -0.195343 -10.575283
-0.195343 -0.542314 -0.244006 -0.492640 -0.195343 -0.492640 -0.195343 -0.079425
-0.079425 -0.195343 -0.492640 -0.195343 -0.492640 -0.244006 -0.542314 -0.195343
-10.575283 -0.195343 -0.079425 -0.244006 -0.079425 -0.195343 -0.492640 -0.195343
-0.195343 -0.079425 -0.195343 -0.492640 -0.244006 -0.492640 -0.195343 -0.542314
-0.195343 -10.575283 -0.244006 -0.079425 -0.195343 -0.079425 -0.195343 -0.492640
-0.492640 -0.195343 -0.079425 -0.195343 -0.542314 -0.195343 -0.492640 -0.244006
-0.079425 -0.244006 -10.575283 -0.195343 -0.492640 -0.195343 -0.079425 -0.195343
-0.195343 -0.492640 -0.195343 -0.079425 -0.195343 -0.542314 -0.244006 -0.492640
-0.244006 -0.079425 -0.195343 -10.575283 -0.195343 -0.492640 -0.195343 -0.079425
-0.492640 -0.244006 -0.542314 -0.195343 -0.079425 -0.195343 -0.492640 -0.195343
-0.079425 -0.195343 -0.492640 -0.195343 -10.575283 -0.195343 -0.079425 -0.244006
-0.244006 -0.492640 -0.195343 -0.542314 -0.195343 -0.079425 -0.195343 -0.492640
-0.195343 -0.079425 -0.195343 -0.492640 -0.195343 -10.575283 -0.244006 -0.079425
-0.542314 -0.195343 -0.492640 -0.244006 -0.492640 -0.195343 -0.079425 -0.195343
-0.492640 -0.195343 -0.079425 -0.195343 -0.079425 -0.244006 -10.575283 -0.195343
-0.195343 -0.542314 -0.244006 -0.492640 -0.195343 -0.492640 -0.195343 -0.079425
-0.195343 -0.492640 -0.195343 -0.079425 -0.244006 -0.079425 -0.195343 -10.575283
Hubbard matrix :
7.940066 0.006603 -0.110270 -0.373178 -0.110270 0.006603 0.184267 0.006603
-0.110270 0.006603 0.184267 0.006603 0.184267 -0.373178 -0.108622 0.006603
0.006603 7.940066 -0.373178 -0.110270 0.006603 -0.110270 0.006603 0.184267
0.006603 -0.110270 0.006603 0.184267 -0.373178 0.184267 0.006603 -0.108622
-0.110270 -0.373178 7.940066 0.006603 0.184267 0.006603 -0.110270 0.006603
0.184267 0.006603 -0.110270 0.006603 -0.108622 0.006603 0.184267 -0.373178
-0.373178 -0.110270 0.006603 7.940066 0.006603 0.184267 0.006603 -0.110270
0.006603 0.184267 0.006603 -0.110270 0.006603 -0.108622 -0.373178 0.184267
-0.110270 0.006603 0.184267 0.006603 7.940066 0.006603 -0.110270 -0.373178
0.184267 -0.373178 -0.108622 0.006603 -0.110270 0.006603 0.184267 0.006603
0.006603 -0.110270 0.006603 0.184267 0.006603 7.940066 -0.373178 -0.110270
-0.373178 0.184267 0.006603 -0.108622 0.006603 -0.110270 0.006603 0.184267
0.184267 0.006603 -0.110270 0.006603 -0.110270 -0.373178 7.940066 0.006603
-0.108622 0.006603 0.184267 -0.373178 0.184267 0.006603 -0.110270 0.006603
0.006603 0.184267 0.006603 -0.110270 -0.373178 -0.110270 0.006603 7.940066
0.006603 -0.108622 -0.373178 0.184267 0.006603 0.184267 0.006603 -0.110270
-0.110270 0.006603 0.184267 0.006603 0.184267 -0.373178 -0.108622 0.006603
7.940066 0.006603 -0.110270 -0.373178 -0.110270 0.006603 0.184267 0.006603
0.006603 -0.110270 0.006603 0.184267 -0.373178 0.184267 0.006603 -0.108622
0.006603 7.940066 -0.373178 -0.110270 0.006603 -0.110270 0.006603 0.184267
0.184267 0.006603 -0.110270 0.006603 -0.108622 0.006603 0.184267 -0.373178
-0.110270 -0.373178 7.940066 0.006603 0.184267 0.006603 -0.110270 0.006603
0.006603 0.184267 0.006603 -0.110270 0.006603 -0.108622 -0.373178 0.184267
-0.373178 -0.110270 0.006603 7.940066 0.006603 0.184267 0.006603 -0.110270
0.184267 -0.373178 -0.108622 0.006603 -0.110270 0.006603 0.184267 0.006603
-0.110270 0.006603 0.184267 0.006603 7.940066 0.006603 -0.110270 -0.373178
-0.373178 0.184267 0.006603 -0.108622 0.006603 -0.110270 0.006603 0.184267
0.006603 -0.110270 0.006603 0.184267 0.006603 7.940066 -0.373178 -0.110270
-0.108622 0.006603 0.184267 -0.373178 0.184267 0.006603 -0.110270 0.006603
0.184267 0.006603 -0.110270 0.006603 -0.110270 -0.373178 7.940066 0.006603
0.006603 -0.108622 -0.373178 0.184267 0.006603 0.184267 0.006603 -0.110270
0.006603 0.184267 0.006603 -0.110270 -0.373178 -0.110270 0.006603 7.940066
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