Input 14-absorption-spinors.04-spectrum.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run foss-opt-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Electronic sum rule 9.606390000000000e-01 9.606390000000000e-01 4.800000000000000e-05 0.000000000000000e+00 PASS
Static polarizability 1.557698800000000e+01 1.557698800000000e+01 7.790000000000000e-06 0.000000000000000e+00 PASS
Energy 1 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 1 5.626811200000000e-02 5.626811100000000e-02 2.810000000000000e-08 9.999999994736442e-10 PASS
Anisotropy 1 6.375587100000001e-02 6.375587000000001e-02 1.100000000000000e-09 9.999999994736442e-10 PASS
Energy 2 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 2 1.959166300000000e-01 1.959166400000000e-01 9.800000000000000e-08 -9.999999994736442e-09 PASS
Anisotropy 2 2.111042500000000e-01 2.111039000000000e-01 1.060000000000000e-06 3.499999999823089e-07 PASS
Energy 3 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 3 3.356472300000000e-01 3.356472300000000e-01 1.680000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 3 3.392693000000000e-01 3.392693000000000e-01 1.700000000000000e-06 0.000000000000000e+00 PASS
Energy 4 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 4 3.763945700000000e-01 3.763945700000000e-01 1.880000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 4 3.572510200000000e-01 3.572510200000000e-01 1.790000000000000e-07 0.000000000000000e+00 PASS
Energy 5 5.000000000000000e+00 5.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 5 2.830281400000000e-01 2.830281400000000e-01 1.420000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 5 2.544255200000000e-01 2.544255200000000e-01 1.270000000000000e-09 0.000000000000000e+00 PASS
Energy 6 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 6 1.258700400000000e-01 1.258700400000000e-01 1.260000000000000e-15 0.000000000000000e+00 PASS
Anisotropy 6 1.091250800000000e-01 1.091250800000000e-01 5.460000000000000e-08 0.000000000000000e+00 PASS
Energy 7 7.000000000000000e+00 7.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 7 1.506891700000000e-02 1.506891700000000e-02 1.510000000000000e-16 -1.734723475976807e-18 PASS
Anisotropy 7 1.594755900000000e-02 1.594755900000000e-02 7.970000000000000e-09 0.000000000000000e+00 PASS
Energy 8 8.000000000000000e+00 8.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 8 -6.918869300000000e-03 -6.918869300000000e-03 3.460000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 8 9.046546799999999e-03 9.046546750000000e-03 5.500000000000000e-11 4.999999893284812e-11 PASS
Energy 9 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 9 1.346786400000000e-02 1.346786400000000e-02 6.730000000000000e-10 0.000000000000000e+00 PASS
Anisotropy 9 2.066281700000000e-02 2.066281700000000e-02 1.030000000000000e-08 0.000000000000000e+00 PASS
Energy 10 1.000000000000000e+01 1.000000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 10 1.898190300000000e-02 1.898199000000000e-02 9.490000000000000e-08 -8.700000000277930e-08 PASS
Anisotropy 10 1.963052300000000e-02 1.963052300000000e-02 9.820000000000000e-09 0.000000000000000e+00 PASS
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