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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 :
-0.546274 0.000508 0.002509 0.007140 0.002509 0.007140 0.004233 0.000942
0.002509 0.007140 0.004233 0.000942 0.004233 0.000942 0.000293 0.002280
0.000508 -0.546274 0.007140 0.002509 0.007140 0.002509 0.000942 0.004233
0.007140 0.002509 0.000942 0.004233 0.000942 0.004233 0.002280 0.000293
0.002509 0.007140 -0.546274 0.000508 0.004233 0.000942 0.002509 0.007140
0.004233 0.000942 0.002509 0.007140 0.000293 0.002280 0.004233 0.000942
0.007140 0.002509 0.000508 -0.546274 0.000942 0.004233 0.007140 0.002509
0.000942 0.004233 0.007140 0.002509 0.002280 0.000293 0.000942 0.004233
0.002509 0.007140 0.004233 0.000942 -0.546274 0.000508 0.002509 0.007140
0.004233 0.000942 0.000293 0.002280 0.002509 0.007140 0.004233 0.000942
0.007140 0.002509 0.000942 0.004233 0.000508 -0.546274 0.007140 0.002509
0.000942 0.004233 0.002280 0.000293 0.007140 0.002509 0.000942 0.004233
0.004233 0.000942 0.002509 0.007140 0.002509 0.007140 -0.546274 0.000508
0.000293 0.002280 0.004233 0.000942 0.004233 0.000942 0.002509 0.007140
0.000942 0.004233 0.007140 0.002509 0.007140 0.002509 0.000508 -0.546274
0.002280 0.000293 0.000942 0.004233 0.000942 0.004233 0.007140 0.002509
0.002509 0.007140 0.004233 0.000942 0.004233 0.000942 0.000293 0.002280
-0.546274 0.000508 0.002509 0.007140 0.002509 0.007140 0.004233 0.000942
0.007140 0.002509 0.000942 0.004233 0.000942 0.004233 0.002280 0.000293
0.000508 -0.546274 0.007140 0.002509 0.007140 0.002509 0.000942 0.004233
0.004233 0.000942 0.002509 0.007140 0.000293 0.002280 0.004233 0.000942
0.002509 0.007140 -0.546274 0.000508 0.004233 0.000942 0.002509 0.007140
0.000942 0.004233 0.007140 0.002509 0.002280 0.000293 0.000942 0.004233
0.007140 0.002509 0.000508 -0.546274 0.000942 0.004233 0.007140 0.002509
0.004233 0.000942 0.000293 0.002280 0.002509 0.007140 0.004233 0.000942
0.002509 0.007140 0.004233 0.000942 -0.546274 0.000508 0.002509 0.007140
0.000942 0.004233 0.002280 0.000293 0.007140 0.002509 0.000942 0.004233
0.007140 0.002509 0.000942 0.004233 0.000508 -0.546274 0.007140 0.002509
0.000293 0.002280 0.004233 0.000942 0.004233 0.000942 0.002509 0.007140
0.004233 0.000942 0.002509 0.007140 0.002509 0.007140 -0.546274 0.000508
0.002280 0.000293 0.000942 0.004233 0.000942 0.004233 0.007140 0.002509
0.000942 0.004233 0.007140 0.002509 0.007140 0.002509 0.000508 -0.546274
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 :
-1.832104 -0.002584 -0.008995 -0.024962 -0.008995 -0.024962 -0.015426 -0.003887
-0.008995 -0.024962 -0.015426 -0.003887 -0.015426 -0.003887 -0.001704 -0.008935
-0.002584 -1.832104 -0.024962 -0.008995 -0.024962 -0.008995 -0.003887 -0.015426
-0.024962 -0.008995 -0.003887 -0.015426 -0.003887 -0.015426 -0.008935 -0.001704
-0.008995 -0.024962 -1.832104 -0.002584 -0.015426 -0.003887 -0.008995 -0.024962
-0.015426 -0.003887 -0.008995 -0.024962 -0.001704 -0.008935 -0.015426 -0.003887
-0.024962 -0.008995 -0.002584 -1.832104 -0.003887 -0.015426 -0.024962 -0.008995
-0.003887 -0.015426 -0.024962 -0.008995 -0.008935 -0.001704 -0.003887 -0.015426
-0.008995 -0.024962 -0.015426 -0.003887 -1.832104 -0.002584 -0.008995 -0.024962
-0.015426 -0.003887 -0.001704 -0.008935 -0.008995 -0.024962 -0.015426 -0.003887
-0.024962 -0.008995 -0.003887 -0.015426 -0.002584 -1.832104 -0.024962 -0.008995
-0.003887 -0.015426 -0.008935 -0.001704 -0.024962 -0.008995 -0.003887 -0.015426
-0.015426 -0.003887 -0.008995 -0.024962 -0.008995 -0.024962 -1.832104 -0.002584
-0.001704 -0.008935 -0.015426 -0.003887 -0.015426 -0.003887 -0.008995 -0.024962
-0.003887 -0.015426 -0.024962 -0.008995 -0.024962 -0.008995 -0.002584 -1.832104
-0.008935 -0.001704 -0.003887 -0.015426 -0.003887 -0.015426 -0.024962 -0.008995
-0.008995 -0.024962 -0.015426 -0.003887 -0.015426 -0.003887 -0.001704 -0.008935
-1.832104 -0.002584 -0.008995 -0.024962 -0.008995 -0.024962 -0.015426 -0.003887
-0.024962 -0.008995 -0.003887 -0.015426 -0.003887 -0.015426 -0.008935 -0.001704
-0.002584 -1.832104 -0.024962 -0.008995 -0.024962 -0.008995 -0.003887 -0.015426
-0.015426 -0.003887 -0.008995 -0.024962 -0.001704 -0.008935 -0.015426 -0.003887
-0.008995 -0.024962 -1.832104 -0.002584 -0.015426 -0.003887 -0.008995 -0.024962
-0.003887 -0.015426 -0.024962 -0.008995 -0.008935 -0.001704 -0.003887 -0.015426
-0.024962 -0.008995 -0.002584 -1.832104 -0.003887 -0.015426 -0.024962 -0.008995
-0.015426 -0.003887 -0.001704 -0.008935 -0.008995 -0.024962 -0.015426 -0.003887
-0.008995 -0.024962 -0.015426 -0.003887 -1.832104 -0.002584 -0.008995 -0.024962
-0.003887 -0.015426 -0.008935 -0.001704 -0.024962 -0.008995 -0.003887 -0.015426
-0.024962 -0.008995 -0.003887 -0.015426 -0.002584 -1.832104 -0.024962 -0.008995
-0.001704 -0.008935 -0.015426 -0.003887 -0.015426 -0.003887 -0.008995 -0.024962
-0.015426 -0.003887 -0.008995 -0.024962 -0.008995 -0.024962 -1.832104 -0.002584
-0.008935 -0.001704 -0.003887 -0.015426 -0.003887 -0.015426 -0.024962 -0.008995
-0.003887 -0.015426 -0.024962 -0.008995 -0.024962 -0.008995 -0.002584 -1.832104
chi^{-1} matrix :
-6.811081 0.001193 -0.001623 -0.011656 -0.001623 -0.011656 -0.008134 0.002414
-0.001623 -0.011656 -0.008134 0.002414 -0.008134 0.002414 0.000255 0.000029
0.001193 -6.811081 -0.011656 -0.001623 -0.011656 -0.001623 0.002414 -0.008134
-0.011656 -0.001623 0.002414 -0.008134 0.002414 -0.008134 0.000029 0.000255
-0.001623 -0.011656 -6.811081 0.001193 -0.008134 0.002414 -0.001623 -0.011656
-0.008134 0.002414 -0.001623 -0.011656 0.000255 0.000029 -0.008134 0.002414
-0.011656 -0.001623 0.001193 -6.811081 0.002414 -0.008134 -0.011656 -0.001623
0.002414 -0.008134 -0.011656 -0.001623 0.000029 0.000255 0.002414 -0.008134
-0.001623 -0.011656 -0.008134 0.002414 -6.811081 0.001193 -0.001623 -0.011656
-0.008134 0.002414 0.000255 0.000029 -0.001623 -0.011656 -0.008134 0.002414
-0.011656 -0.001623 0.002414 -0.008134 0.001193 -6.811081 -0.011656 -0.001623
0.002414 -0.008134 0.000029 0.000255 -0.011656 -0.001623 0.002414 -0.008134
-0.008134 0.002414 -0.001623 -0.011656 -0.001623 -0.011656 -6.811081 0.001193
0.000255 0.000029 -0.008134 0.002414 -0.008134 0.002414 -0.001623 -0.011656
0.002414 -0.008134 -0.011656 -0.001623 -0.011656 -0.001623 0.001193 -6.811081
0.000029 0.000255 0.002414 -0.008134 0.002414 -0.008134 -0.011656 -0.001623
-0.001623 -0.011656 -0.008134 0.002414 -0.008134 0.002414 0.000255 0.000029
-6.811081 0.001193 -0.001623 -0.011656 -0.001623 -0.011656 -0.008134 0.002414
-0.011656 -0.001623 0.002414 -0.008134 0.002414 -0.008134 0.000029 0.000255
0.001193 -6.811081 -0.011656 -0.001623 -0.011656 -0.001623 0.002414 -0.008134
-0.008134 0.002414 -0.001623 -0.011656 0.000255 0.000029 -0.008134 0.002414
-0.001623 -0.011656 -6.811081 0.001193 -0.008134 0.002414 -0.001623 -0.011656
0.002414 -0.008134 -0.011656 -0.001623 0.000029 0.000255 0.002414 -0.008134
-0.011656 -0.001623 0.001193 -6.811081 0.002414 -0.008134 -0.011656 -0.001623
-0.008134 0.002414 0.000255 0.000029 -0.001623 -0.011656 -0.008134 0.002414
-0.001623 -0.011656 -0.008134 0.002414 -6.811081 0.001193 -0.001623 -0.011656
0.002414 -0.008134 0.000029 0.000255 -0.011656 -0.001623 0.002414 -0.008134
-0.011656 -0.001623 0.002414 -0.008134 0.001193 -6.811081 -0.011656 -0.001623
0.000255 0.000029 -0.008134 0.002414 -0.008134 0.002414 -0.001623 -0.011656
-0.008134 0.002414 -0.001623 -0.011656 -0.001623 -0.011656 -6.811081 0.001193
0.000029 0.000255 0.002414 -0.008134 0.002414 -0.008134 -0.011656 -0.001623
0.002414 -0.008134 -0.011656 -0.001623 -0.011656 -0.001623 0.001193 -6.811081
Hubbard matrix :
4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977
-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
4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977 -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 4.978977
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