Input 12-absorption.04-spectrum.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_cmake: [foss2022a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Electronic sum rule 9.637050000000000e-01 9.637050000000000e-01 4.820000000000000e-05 0.000000000000000e+00 PASS
Static polarizability 1.610347400000000e+01 1.610347400000000e+01 1.610000000000000e-13 -3.552713678800501e-15 PASS
Energy 1 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 1 5.923971700000000e-02 5.923971700000000e-02 5.920000000000000e-10 0.000000000000000e+00 PASS
Anisotropy 1 6.967891800000001e-02 6.967891800000001e-02 3.480000000000000e-08 0.000000000000000e+00 PASS
Energy 2 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 2 2.037328000000000e-01 2.037328000000000e-01 1.020000000000000e-06 0.000000000000000e+00 PASS
Anisotropy 2 2.260064500000000e-01 2.260064500000000e-01 1.130000000000000e-07 0.000000000000000e+00 PASS
Energy 3 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 3 3.433737200000000e-01 3.433737200000000e-01 1.720000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 3 3.526466000000000e-01 3.526466000000000e-01 1.760000000000000e-06 0.000000000000000e+00 PASS
Energy 4 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 4 3.783206000000000e-01 3.783206000000000e-01 1.890000000000000e-06 0.000000000000000e+00 PASS
Anisotropy 4 3.594375000000000e-01 3.594375000000000e-01 1.800000000000000e-06 0.000000000000000e+00 PASS
Energy 5 5.000000000000000e+00 5.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 5 2.791534800000000e-01 2.791534800000000e-01 1.400000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 5 2.484924200000000e-01 2.484924200000000e-01 1.240000000000000e-07 0.000000000000000e+00 PASS
Energy 6 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 6 1.208315000000000e-01 1.208315000000000e-01 6.040000000000000e-07 0.000000000000000e+00 PASS
Anisotropy 6 1.048904400000000e-01 1.048904400000000e-01 5.240000000000000e-08 0.000000000000000e+00 PASS
Energy 7 7.000000000000000e+00 7.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 7 1.218601800000000e-02 1.218601800000000e-02 6.090000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 7 1.845356000000000e-02 1.845356000000000e-02 9.230000000000000e-08 0.000000000000000e+00 PASS
Energy 8 8.000000000000000e+00 8.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 8 -8.294447300000000e-03 -8.294447300000000e-03 4.150000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 8 9.141226100000000e-03 9.141226100000000e-03 4.570000000000000e-09 0.000000000000000e+00 PASS
Energy 9 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 9 1.178221200000000e-02 1.178221200000000e-02 5.890000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 9 1.888278600000000e-02 1.888278600000000e-02 9.440000000000000e-09 0.000000000000000e+00 PASS
Energy 10 1.000000000000000e+01 1.000000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
Sigma 10 1.704877800000000e-02 1.704877800000000e-02 8.520000000000000e-09 0.000000000000000e+00 PASS
Anisotropy 10 1.701530100000000e-02 1.701530100000000e-02 8.510000000000000e-09 0.000000000000000e+00 PASS
Compare to other inputs