Input 07-casida-photons.06-spectrum.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Casida spectrum x | 1.265022000000000e+01 | 1.265014000000000e+01 | 1.000000000000000e-04 | 7.999999999874774e-05 | PASS |
Casida spectrum y | 4.191718000000000e-01 | 4.191558000000000e-01 | 1.000000000000000e-04 | 1.599999999996049e-05 | PASS |
Casida spectrum z | 4.048058000000000e-01 | 4.047906000000000e-01 | 1.000000000000000e-04 | 1.519999999999300e-05 | PASS |
Casida spectrum tot | 4.491399000000000e+00 | 4.491362000000000e+00 | 1.000000000000000e-04 | 3.700000000073089e-05 | PASS |