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quantum-espresso/HP/examples/example03/reference/CrI3.Hubbard_parameters.dat

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=-------------------------------------------------------------------=
Hubbard U parameters:
site n. type label spin new_type new_label Hubbard U (eV)
1 1 Cr 1 1 Cr 4.9790
2 1 Cr 1 1 Cr 4.9790
=-------------------------------------------------------------------=
chi0 matrix :
-0.546280 0.000508 0.002510 0.007140 0.002510 0.007140 0.004233 0.000943
0.002510 0.007140 0.004233 0.000943 0.004233 0.000943 0.000293 0.002280
0.000508 -0.546280 0.007140 0.002510 0.007140 0.002510 0.000943 0.004233
0.007140 0.002510 0.000943 0.004233 0.000943 0.004233 0.002280 0.000293
0.002510 0.007140 -0.546280 0.000508 0.004233 0.000943 0.002510 0.007140
0.004233 0.000943 0.002510 0.007140 0.000293 0.002280 0.004233 0.000943
0.007140 0.002510 0.000508 -0.546280 0.000943 0.004233 0.007140 0.002510
0.000943 0.004233 0.007140 0.002510 0.002280 0.000293 0.000943 0.004233
0.002510 0.007140 0.004233 0.000943 -0.546280 0.000508 0.002510 0.007140
0.004233 0.000943 0.000293 0.002280 0.002510 0.007140 0.004233 0.000943
0.007140 0.002510 0.000943 0.004233 0.000508 -0.546280 0.007140 0.002510
0.000943 0.004233 0.002280 0.000293 0.007140 0.002510 0.000943 0.004233
0.004233 0.000943 0.002510 0.007140 0.002510 0.007140 -0.546280 0.000508
0.000293 0.002280 0.004233 0.000943 0.004233 0.000943 0.002510 0.007140
0.000943 0.004233 0.007140 0.002510 0.007140 0.002510 0.000508 -0.546280
0.002280 0.000293 0.000943 0.004233 0.000943 0.004233 0.007140 0.002510
0.002510 0.007140 0.004233 0.000943 0.004233 0.000943 0.000293 0.002280
-0.546280 0.000508 0.002510 0.007140 0.002510 0.007140 0.004233 0.000943
0.007140 0.002510 0.000943 0.004233 0.000943 0.004233 0.002280 0.000293
0.000508 -0.546280 0.007140 0.002510 0.007140 0.002510 0.000943 0.004233
0.004233 0.000943 0.002510 0.007140 0.000293 0.002280 0.004233 0.000943
0.002510 0.007140 -0.546280 0.000508 0.004233 0.000943 0.002510 0.007140
0.000943 0.004233 0.007140 0.002510 0.002280 0.000293 0.000943 0.004233
0.007140 0.002510 0.000508 -0.546280 0.000943 0.004233 0.007140 0.002510
0.004233 0.000943 0.000293 0.002280 0.002510 0.007140 0.004233 0.000943
0.002510 0.007140 0.004233 0.000943 -0.546280 0.000508 0.002510 0.007140
0.000943 0.004233 0.002280 0.000293 0.007140 0.002510 0.000943 0.004233
0.007140 0.002510 0.000943 0.004233 0.000508 -0.546280 0.007140 0.002510
0.000293 0.002280 0.004233 0.000943 0.004233 0.000943 0.002510 0.007140
0.004233 0.000943 0.002510 0.007140 0.002510 0.007140 -0.546280 0.000508
0.002280 0.000293 0.000943 0.004233 0.000943 0.004233 0.007140 0.002510
0.000943 0.004233 0.007140 0.002510 0.007140 0.002510 0.000508 -0.546280
chi matrix :
-0.146822 -0.000026 0.000035 0.000250 0.000035 0.000250 0.000174 -0.000052
0.000035 0.000250 0.000174 -0.000052 0.000174 -0.000052 -0.000005 -0.000002
-0.000026 -0.146822 0.000250 0.000035 0.000250 0.000035 -0.000052 0.000174
0.000250 0.000035 -0.000052 0.000174 -0.000052 0.000174 -0.000002 -0.000005
0.000035 0.000250 -0.146822 -0.000026 0.000174 -0.000052 0.000035 0.000250
0.000174 -0.000052 0.000035 0.000250 -0.000005 -0.000002 0.000174 -0.000052
0.000250 0.000035 -0.000026 -0.146822 -0.000052 0.000174 0.000250 0.000035
-0.000052 0.000174 0.000250 0.000035 -0.000002 -0.000005 -0.000052 0.000174
0.000035 0.000250 0.000174 -0.000052 -0.146822 -0.000026 0.000035 0.000250
0.000174 -0.000052 -0.000005 -0.000002 0.000035 0.000250 0.000174 -0.000052
0.000250 0.000035 -0.000052 0.000174 -0.000026 -0.146822 0.000250 0.000035
-0.000052 0.000174 -0.000002 -0.000005 0.000250 0.000035 -0.000052 0.000174
0.000174 -0.000052 0.000035 0.000250 0.000035 0.000250 -0.146822 -0.000026
-0.000005 -0.000002 0.000174 -0.000052 0.000174 -0.000052 0.000035 0.000250
-0.000052 0.000174 0.000250 0.000035 0.000250 0.000035 -0.000026 -0.146822
-0.000002 -0.000005 -0.000052 0.000174 -0.000052 0.000174 0.000250 0.000035
0.000035 0.000250 0.000174 -0.000052 0.000174 -0.000052 -0.000005 -0.000002
-0.146822 -0.000026 0.000035 0.000250 0.000035 0.000250 0.000174 -0.000052
0.000250 0.000035 -0.000052 0.000174 -0.000052 0.000174 -0.000002 -0.000005
-0.000026 -0.146822 0.000250 0.000035 0.000250 0.000035 -0.000052 0.000174
0.000174 -0.000052 0.000035 0.000250 -0.000005 -0.000002 0.000174 -0.000052
0.000035 0.000250 -0.146822 -0.000026 0.000174 -0.000052 0.000035 0.000250
-0.000052 0.000174 0.000250 0.000035 -0.000002 -0.000005 -0.000052 0.000174
0.000250 0.000035 -0.000026 -0.146822 -0.000052 0.000174 0.000250 0.000035
0.000174 -0.000052 -0.000005 -0.000002 0.000035 0.000250 0.000174 -0.000052
0.000035 0.000250 0.000174 -0.000052 -0.146822 -0.000026 0.000035 0.000250
-0.000052 0.000174 -0.000002 -0.000005 0.000250 0.000035 -0.000052 0.000174
0.000250 0.000035 -0.000052 0.000174 -0.000026 -0.146822 0.000250 0.000035
-0.000005 -0.000002 0.000174 -0.000052 0.000174 -0.000052 0.000035 0.000250
0.000174 -0.000052 0.000035 0.000250 0.000035 0.000250 -0.146822 -0.000026
-0.000002 -0.000005 -0.000052 0.000174 -0.000052 0.000174 0.000250 0.000035
-0.000052 0.000174 0.000250 0.000035 0.000250 0.000035 -0.000026 -0.146822
chi0^{-1} matrix :
-1.832086 -0.002584 -0.008996 -0.024963 -0.008996 -0.024963 -0.015426 -0.003888
-0.008996 -0.024963 -0.015426 -0.003888 -0.015426 -0.003888 -0.001704 -0.008936
-0.002584 -1.832086 -0.024963 -0.008996 -0.024963 -0.008996 -0.003888 -0.015426
-0.024963 -0.008996 -0.003888 -0.015426 -0.003888 -0.015426 -0.008936 -0.001704
-0.008996 -0.024963 -1.832086 -0.002584 -0.015426 -0.003888 -0.008996 -0.024963
-0.015426 -0.003888 -0.008996 -0.024963 -0.001704 -0.008936 -0.015426 -0.003888
-0.024963 -0.008996 -0.002584 -1.832086 -0.003888 -0.015426 -0.024963 -0.008996
-0.003888 -0.015426 -0.024963 -0.008996 -0.008936 -0.001704 -0.003888 -0.015426
-0.008996 -0.024963 -0.015426 -0.003888 -1.832086 -0.002584 -0.008996 -0.024963
-0.015426 -0.003888 -0.001704 -0.008936 -0.008996 -0.024963 -0.015426 -0.003888
-0.024963 -0.008996 -0.003888 -0.015426 -0.002584 -1.832086 -0.024963 -0.008996
-0.003888 -0.015426 -0.008936 -0.001704 -0.024963 -0.008996 -0.003888 -0.015426
-0.015426 -0.003888 -0.008996 -0.024963 -0.008996 -0.024963 -1.832086 -0.002584
-0.001704 -0.008936 -0.015426 -0.003888 -0.015426 -0.003888 -0.008996 -0.024963
-0.003888 -0.015426 -0.024963 -0.008996 -0.024963 -0.008996 -0.002584 -1.832086
-0.008936 -0.001704 -0.003888 -0.015426 -0.003888 -0.015426 -0.024963 -0.008996
-0.008996 -0.024963 -0.015426 -0.003888 -0.015426 -0.003888 -0.001704 -0.008936
-1.832086 -0.002584 -0.008996 -0.024963 -0.008996 -0.024963 -0.015426 -0.003888
-0.024963 -0.008996 -0.003888 -0.015426 -0.003888 -0.015426 -0.008936 -0.001704
-0.002584 -1.832086 -0.024963 -0.008996 -0.024963 -0.008996 -0.003888 -0.015426
-0.015426 -0.003888 -0.008996 -0.024963 -0.001704 -0.008936 -0.015426 -0.003888
-0.008996 -0.024963 -1.832086 -0.002584 -0.015426 -0.003888 -0.008996 -0.024963
-0.003888 -0.015426 -0.024963 -0.008996 -0.008936 -0.001704 -0.003888 -0.015426
-0.024963 -0.008996 -0.002584 -1.832086 -0.003888 -0.015426 -0.024963 -0.008996
-0.015426 -0.003888 -0.001704 -0.008936 -0.008996 -0.024963 -0.015426 -0.003888
-0.008996 -0.024963 -0.015426 -0.003888 -1.832086 -0.002584 -0.008996 -0.024963
-0.003888 -0.015426 -0.008936 -0.001704 -0.024963 -0.008996 -0.003888 -0.015426
-0.024963 -0.008996 -0.003888 -0.015426 -0.002584 -1.832086 -0.024963 -0.008996
-0.001704 -0.008936 -0.015426 -0.003888 -0.015426 -0.003888 -0.008996 -0.024963
-0.015426 -0.003888 -0.008996 -0.024963 -0.008996 -0.024963 -1.832086 -0.002584
-0.008936 -0.001704 -0.003888 -0.015426 -0.003888 -0.015426 -0.024963 -0.008996
-0.003888 -0.015426 -0.024963 -0.008996 -0.024963 -0.008996 -0.002584 -1.832086
chi^{-1} matrix :
-6.811059 0.001193 -0.001623 -0.011656 -0.001623 -0.011656 -0.008135 0.002414
-0.001623 -0.011656 -0.008135 0.002414 -0.008135 0.002414 0.000255 0.000029
0.001193 -6.811059 -0.011656 -0.001623 -0.011656 -0.001623 0.002414 -0.008135
-0.011656 -0.001623 0.002414 -0.008135 0.002414 -0.008135 0.000029 0.000255
-0.001623 -0.011656 -6.811059 0.001193 -0.008135 0.002414 -0.001623 -0.011656
-0.008135 0.002414 -0.001623 -0.011656 0.000255 0.000029 -0.008135 0.002414
-0.011656 -0.001623 0.001193 -6.811059 0.002414 -0.008135 -0.011656 -0.001623
0.002414 -0.008135 -0.011656 -0.001623 0.000029 0.000255 0.002414 -0.008135
-0.001623 -0.011656 -0.008135 0.002414 -6.811059 0.001193 -0.001623 -0.011656
-0.008135 0.002414 0.000255 0.000029 -0.001623 -0.011656 -0.008135 0.002414
-0.011656 -0.001623 0.002414 -0.008135 0.001193 -6.811059 -0.011656 -0.001623
0.002414 -0.008135 0.000029 0.000255 -0.011656 -0.001623 0.002414 -0.008135
-0.008135 0.002414 -0.001623 -0.011656 -0.001623 -0.011656 -6.811059 0.001193
0.000255 0.000029 -0.008135 0.002414 -0.008135 0.002414 -0.001623 -0.011656
0.002414 -0.008135 -0.011656 -0.001623 -0.011656 -0.001623 0.001193 -6.811059
0.000029 0.000255 0.002414 -0.008135 0.002414 -0.008135 -0.011656 -0.001623
-0.001623 -0.011656 -0.008135 0.002414 -0.008135 0.002414 0.000255 0.000029
-6.811059 0.001193 -0.001623 -0.011656 -0.001623 -0.011656 -0.008135 0.002414
-0.011656 -0.001623 0.002414 -0.008135 0.002414 -0.008135 0.000029 0.000255
0.001193 -6.811059 -0.011656 -0.001623 -0.011656 -0.001623 0.002414 -0.008135
-0.008135 0.002414 -0.001623 -0.011656 0.000255 0.000029 -0.008135 0.002414
-0.001623 -0.011656 -6.811059 0.001193 -0.008135 0.002414 -0.001623 -0.011656
0.002414 -0.008135 -0.011656 -0.001623 0.000029 0.000255 0.002414 -0.008135
-0.011656 -0.001623 0.001193 -6.811059 0.002414 -0.008135 -0.011656 -0.001623
-0.008135 0.002414 0.000255 0.000029 -0.001623 -0.011656 -0.008135 0.002414
-0.001623 -0.011656 -0.008135 0.002414 -6.811059 0.001193 -0.001623 -0.011656
0.002414 -0.008135 0.000029 0.000255 -0.011656 -0.001623 0.002414 -0.008135
-0.011656 -0.001623 0.002414 -0.008135 0.001193 -6.811059 -0.011656 -0.001623
0.000255 0.000029 -0.008135 0.002414 -0.008135 0.002414 -0.001623 -0.011656
-0.008135 0.002414 -0.001623 -0.011656 -0.001623 -0.011656 -6.811059 0.001193
0.000029 0.000255 0.002414 -0.008135 0.002414 -0.008135 -0.011656 -0.001623
0.002414 -0.008135 -0.011656 -0.001623 -0.011656 -0.001623 0.001193 -6.811059
Hubbard matrix :
4.978973 -0.003776 -0.007372 -0.013307 -0.007372 -0.013307 -0.007291 -0.006301
-0.007372 -0.013307 -0.007291 -0.006301 -0.007291 -0.006301 -0.001959 -0.008965
-0.003776 4.978973 -0.013307 -0.007372 -0.013307 -0.007372 -0.006301 -0.007291
-0.013307 -0.007372 -0.006301 -0.007291 -0.006301 -0.007291 -0.008965 -0.001959
-0.007372 -0.013307 4.978973 -0.003776 -0.007291 -0.006301 -0.007372 -0.013307
-0.007291 -0.006301 -0.007372 -0.013307 -0.001959 -0.008965 -0.007291 -0.006301
-0.013307 -0.007372 -0.003776 4.978973 -0.006301 -0.007291 -0.013307 -0.007372
-0.006301 -0.007291 -0.013307 -0.007372 -0.008965 -0.001959 -0.006301 -0.007291
-0.007372 -0.013307 -0.007291 -0.006301 4.978973 -0.003776 -0.007372 -0.013307
-0.007291 -0.006301 -0.001959 -0.008965 -0.007372 -0.013307 -0.007291 -0.006301
-0.013307 -0.007372 -0.006301 -0.007291 -0.003776 4.978973 -0.013307 -0.007372
-0.006301 -0.007291 -0.008965 -0.001959 -0.013307 -0.007372 -0.006301 -0.007291
-0.007291 -0.006301 -0.007372 -0.013307 -0.007372 -0.013307 4.978973 -0.003776
-0.001959 -0.008965 -0.007291 -0.006301 -0.007291 -0.006301 -0.007372 -0.013307
-0.006301 -0.007291 -0.013307 -0.007372 -0.013307 -0.007372 -0.003776 4.978973
-0.008965 -0.001959 -0.006301 -0.007291 -0.006301 -0.007291 -0.013307 -0.007372
-0.007372 -0.013307 -0.007291 -0.006301 -0.007291 -0.006301 -0.001959 -0.008965
4.978973 -0.003776 -0.007372 -0.013307 -0.007372 -0.013307 -0.007291 -0.006301
-0.013307 -0.007372 -0.006301 -0.007291 -0.006301 -0.007291 -0.008965 -0.001959
-0.003776 4.978973 -0.013307 -0.007372 -0.013307 -0.007372 -0.006301 -0.007291
-0.007291 -0.006301 -0.007372 -0.013307 -0.001959 -0.008965 -0.007291 -0.006301
-0.007372 -0.013307 4.978973 -0.003776 -0.007291 -0.006301 -0.007372 -0.013307
-0.006301 -0.007291 -0.013307 -0.007372 -0.008965 -0.001959 -0.006301 -0.007291
-0.013307 -0.007372 -0.003776 4.978973 -0.006301 -0.007291 -0.013307 -0.007372
-0.007291 -0.006301 -0.001959 -0.008965 -0.007372 -0.013307 -0.007291 -0.006301
-0.007372 -0.013307 -0.007291 -0.006301 4.978973 -0.003776 -0.007372 -0.013307
-0.006301 -0.007291 -0.008965 -0.001959 -0.013307 -0.007372 -0.006301 -0.007291
-0.013307 -0.007372 -0.006301 -0.007291 -0.003776 4.978973 -0.013307 -0.007372
-0.001959 -0.008965 -0.007291 -0.006301 -0.007291 -0.006301 -0.007372 -0.013307
-0.007291 -0.006301 -0.007372 -0.013307 -0.007372 -0.013307 4.978973 -0.003776
-0.008965 -0.001959 -0.006301 -0.007291 -0.006301 -0.007291 -0.013307 -0.007372
-0.006301 -0.007291 -0.013307 -0.007372 -0.013307 -0.007372 -0.003776 4.978973
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