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

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss-mpi-opt-full: [foss2023a-mpi]

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 1.557697600000000e+01 7.790000000000000e-06 1.199999999990098e-05 FAIL
Energy 1 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 1 5.626811200000000e-02 5.626808100000000e-02 2.810000000000000e-08 3.100000000449965e-08 FAIL
Anisotropy 1 6.375587100000001e-02 6.375581000000001e-02 3.190000000000000e-08 6.099999999564787e-08 FAIL
Energy 2 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 2 1.959166400000000e-01 1.959163900000000e-01 9.800000000000000e-08 2.500000000071889e-07 FAIL
Anisotropy 2 2.111042700000000e-01 2.111039000000000e-01 1.060000000000000e-06 3.699999999995374e-07 PASS
Energy 3 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 3 3.356472300000000e-01 3.356466500000000e-01 1.680000000000000e-07 5.800000000277805e-07 FAIL
Anisotropy 3 3.392693000000000e-01 3.392687200000000e-01 1.700000000000000e-07 5.799999999722694e-07 FAIL
Energy 4 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 4 3.763945700000000e-01 3.763940800000000e-01 1.880000000000000e-07 4.899999999641302e-07 FAIL
Anisotropy 4 3.572510200000000e-01 3.572506500000000e-01 1.790000000000000e-07 3.699999999717818e-07 FAIL
Energy 5 5.000000000000000e+00 5.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 5 2.830281400000000e-01 2.830283400000000e-01 1.420000000000000e-07 -2.000000000057511e-07 FAIL
Anisotropy 5 2.544255200000000e-01 2.544257600000000e-01 1.270000000000000e-07 -2.399999999846969e-07 FAIL
Energy 6 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 6 1.258700400000000e-01 1.258708200000000e-01 6.290000000000000e-08 -7.800000000057761e-07 FAIL
Anisotropy 6 1.091250800000000e-01 1.091257700000000e-01 5.460000000000000e-08 -6.899999999976369e-07 FAIL
Energy 7 7.000000000000000e+00 7.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 7 1.506891700000000e-02 1.506942600000000e-02 7.530000000000000e-09 -5.090000000009670e-07 FAIL
Anisotropy 7 1.594755900000000e-02 1.594791200000000e-02 7.970000000000000e-09 -3.530000000015465e-07 FAIL
Energy 8 8.000000000000000e+00 8.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 8 -6.918869300000000e-03 -6.918995400000000e-03 3.460000000000000e-09 1.261000000000664e-07 FAIL
Anisotropy 8 9.046546799999999e-03 9.046483899999999e-03 4.520000000000000e-09 6.290000000019891e-08 FAIL
Energy 9 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 9 1.346786400000000e-02 1.346759200000000e-02 6.730000000000000e-09 2.719999999990785e-07 FAIL
Anisotropy 9 2.066281700000000e-02 2.066263000000000e-02 1.030000000000000e-07 1.869999999987160e-07 FAIL
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 1.963064900000000e-02 9.820000000000000e-09 -1.259999999995987e-07 FAIL
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