Input 13-absorption-spin.04-spectrum.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
Electronic sum rule 9.606020000000000e-01 9.606020000000000e-01 4.800000000000000e-05 0.000000000000000e+00 PASS
Static polarizability 1.557903200000000e+01 1.557903200000000e+01 7.790000000000000e-06 0.000000000000000e+00 PASS
Energy 1 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 1 5.628209400000000e-02 5.628209300000000e-02 2.810000000000000e-08 9.999999994736442e-10 PASS
Anisotropy 1 6.377999099999999e-02 6.377999099999999e-02 3.190000000000000e-15 0.000000000000000e+00 PASS
Energy 2 2.000000000000000e+00 2.000000000000000e+00 2.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 2 1.959494100000000e-01 1.959494100000000e-01 9.800000000000000e-08 0.000000000000000e+00 PASS
Anisotropy 2 2.111617900000000e-01 2.111617900000000e-01 1.060000000000000e-07 0.000000000000000e+00 PASS
Energy 3 3.000000000000000e+00 3.000000000000000e+00 3.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 3 3.356676500000000e-01 3.356676500000000e-01 1.680000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 3 3.393105600000000e-01 3.393105600000000e-01 1.700000000000000e-07 0.000000000000000e+00 PASS
Energy 4 4.000000000000000e+00 4.000000000000000e+00 4.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 4 3.763748700000000e-01 3.763748700000000e-01 1.880000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 4 3.572343100000000e-01 3.572343100000000e-01 1.790000000000000e-07 0.000000000000000e+00 PASS
Energy 5 5.000000000000000e+00 5.000000000000000e+00 5.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 5 2.829798300000000e-01 2.829798300000000e-01 1.410000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 5 2.543714500000000e-01 2.543714500000000e-01 1.270000000000000e-07 0.000000000000000e+00 PASS
Energy 6 6.000000000000000e+00 6.000000000000000e+00 6.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 6 1.258291900000000e-01 1.258291900000000e-01 6.290000000000000e-08 0.000000000000000e+00 PASS
Anisotropy 6 1.090871000000000e-01 1.090871000000000e-01 5.450000000000000e-07 0.000000000000000e+00 PASS
Energy 7 7.000000000000000e+00 7.000000000000000e+00 7.000000000000001e-02 0.000000000000000e+00 PASS
Sigma 7 1.505488300000000e-02 1.505488200000000e-02 7.530000000000000e-09 9.999999994736442e-10 PASS
Anisotropy 7 1.595696500000000e-02 1.595696500000000e-02 7.979999999999999e-09 0.000000000000000e+00 PASS
Energy 8 8.000000000000000e+00 8.000000000000000e+00 8.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 8 -6.916619400000000e-03 -6.916620600000000e-03 3.460000000000000e-09 1.200000000409207e-09 PASS
Anisotropy 8 9.033372099999999e-03 9.033371400000000e-03 4.520000000000000e-09 6.999999989376615e-10 PASS
Energy 9 9.000000000000000e+00 9.000000000000000e+00 9.000000000000000e-02 0.000000000000000e+00 PASS
Sigma 9 1.346893700000000e-02 1.346893700000000e-02 6.730000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 9 2.065164200000000e-02 2.065164200000000e-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 1.897829600000000e-02 1.897829700000000e-02 9.489999999999999e-09 -1.000000002943091e-09 PASS
Anisotropy 10 1.961990300000000e-02 1.961990400000000e-02 9.810000000000000e-09 -9.999999994736442e-10 PASS
Compare to other inputs