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

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_serial_debug

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 1.557698000000000e+01 1.557697600000000e+01 7.790000000000000e-06 4.000000000559112e-06 PASS
Energy 1 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 1 5.626810300000000e-02 5.626808100000000e-02 2.810000000000000e-08 2.200000000229796e-08 PASS
Anisotropy 1 6.375581600000001e-02 6.375581000000001e-02 3.190000000000000e-08 5.999999996841865e-09 PASS
Energy 2 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 2 1.959164500000000e-01 1.959163900000000e-01 9.800000000000000e-08 5.999999999617422e-08 PASS
Anisotropy 2 2.111040000000000e-01 2.111039000000000e-01 1.060000000000000e-06 1.000000000028756e-07 PASS
Energy 3 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 3 3.356467000000000e-01 3.356466500000000e-01 1.680000000000000e-07 5.000000002919336e-08 PASS
Anisotropy 3 3.392688100000000e-01 3.392687200000000e-01 1.700000000000000e-07 8.999999995262797e-08 PASS
Energy 4 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 4 3.763940900000000e-01 3.763940800000000e-01 1.880000000000000e-07 9.999999994736442e-09 PASS
Anisotropy 4 3.572506700000000e-01 3.572506500000000e-01 1.790000000000000e-07 1.999999998947288e-08 PASS
Energy 5 5.000000000000000e+00 5.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 5 2.830283100000000e-01 2.830283400000000e-01 1.420000000000000e-07 -2.999999998420932e-08 PASS
Anisotropy 5 2.544257500000000e-01 2.544257600000000e-01 1.270000000000000e-07 -9.999999994736442e-09 PASS
Energy 6 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 6 1.258707800000000e-01 1.258708200000000e-01 6.290000000000000e-08 -4.000000000670134e-08 PASS
Anisotropy 6 1.091257400000000e-01 1.091257700000000e-01 5.460000000000000e-08 -2.999999999808711e-08 PASS
Energy 7 7.000000000000000e+00 7.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 7 1.506942100000000e-02 1.506942600000000e-02 7.530000000000000e-09 -5.000000000837668e-09 PASS
Anisotropy 7 1.594791700000000e-02 1.594791200000000e-02 7.970000000000000e-09 4.999999997368221e-09 PASS
Energy 8 8.000000000000000e+00 8.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 8 -6.918997900000000e-03 -6.918995400000000e-03 3.460000000000000e-09 -2.500000000418834e-09 PASS
Anisotropy 8 9.046482099999999e-03 9.046483899999999e-03 4.520000000000000e-09 -1.799999999746449e-09 PASS
Energy 9 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 9 1.346759000000000e-02 1.346759200000000e-02 6.730000000000000e-09 -2.000000000682012e-09 PASS
Anisotropy 9 2.066262700000000e-02 2.066263000000000e-02 1.030000000000000e-07 -3.000000001890379e-09 PASS
Energy 10 1.000000000000000e+01 1.000000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 10 1.898198400000000e-02 1.898199000000000e-02 9.490000000000000e-08 -6.000000003780759e-09 PASS
Anisotropy 10 1.963064000000000e-02 1.963064900000000e-02 9.820000000000000e-09 -8.999999998732244e-09 PASS
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