Input 12-absorption.04-spectrum.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
Electronic sum rule 9.643850000000000e-01 9.643850000000000e-01 4.820000000000000e-05 0.000000000000000e+00 PASS
Static polarizability 1.643849200000000e+01 1.643849200000000e+01 8.219999999999999e-06 0.000000000000000e+00 PASS
Energy 1 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 1 6.129813600000000e-02 6.129813600000000e-02 3.060000000000000e-08 0.000000000000000e+00 PASS
Anisotropy 1 7.073624000000001e-02 7.073623999999999e-02 3.540000000000000e-07 1.387778780781446e-17 PASS
Energy 2 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 2 2.088946300000000e-01 2.088946300000000e-01 1.040000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 2 2.286617600000000e-01 2.286617600000000e-01 1.140000000000000e-07 0.000000000000000e+00 PASS
Energy 3 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 3 3.476240300000000e-01 3.476240300000000e-01 1.740000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 3 3.546447600000000e-01 3.546447600000000e-01 1.770000000000000e-07 0.000000000000000e+00 PASS
Energy 4 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 4 3.773875100000000e-01 3.773875100000000e-01 1.890000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 4 3.581512100000000e-01 3.581512100000000e-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 2.736851900000000e-01 2.736851900000000e-01 1.370000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 5 2.440914200000000e-01 2.440914200000000e-01 1.220000000000000e-07 0.000000000000000e+00 PASS
Energy 6 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 6 1.154789700000000e-01 1.154789700000000e-01 5.770000000000000e-08 0.000000000000000e+00 PASS
Anisotropy 6 1.001082900000000e-01 1.001082900000000e-01 5.010000000000000e-08 0.000000000000000e+00 PASS
Energy 7 7.000000000000000e+00 7.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 7 1.039818300000000e-02 1.039818300000000e-02 5.200000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 7 1.544701900000000e-02 1.544701900000000e-02 7.720000000000001e-09 -1.734723475976807e-18 PASS
Energy 8 8.000000000000000e+00 8.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 8 -7.102321200000000e-03 -7.102321200000000e-03 3.550000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 8 9.100278300000000e-03 9.100278300000000e-03 4.550000000000000e-09 0.000000000000000e+00 PASS
Energy 9 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 9 1.333352200000000e-02 1.333352200000000e-02 6.670000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 9 1.960143700000000e-02 1.960143700000000e-02 9.800000000000000e-09 0.000000000000000e+00 PASS
Energy 10 1.000000000000000e+01 1.000000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 10 1.744578700000000e-02 1.744578700000000e-02 8.720000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 10 1.723081000000000e-02 1.723081000000000e-02 8.620000000000000e-08 0.000000000000000e+00 PASS
Compare to other inputs