Input 07-casida-photons.06-spectrum.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-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 | 4.191710000000000e-01 | 4.191558000000000e-01 | 1.000000000000000e-04 | 1.519999999999300e-05 | PASS |
Casida spectrum z | 4.048050000000000e-01 | 4.047906000000000e-01 | 1.000000000000000e-04 | 1.440000000002550e-05 | PASS |
Casida spectrum tot | 4.491397000000000e+00 | 4.491362000000000e+00 | 1.000000000000000e-04 | 3.500000000045134e-05 | PASS |