Input 01-casida.09-spectrum.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
eps_diff spectrum x | 2.902434000000000e-01 | 2.902434000000000e-01 | 1.450000000000000e-06 | 0.000000000000000e+00 | PASS |
eps_diff spectrum y | 1.521389000000000e+01 | 1.521389000000000e+01 | 7.610000000000001e-05 | 0.000000000000000e+00 | PASS |
eps_diff spectrum z | 1.521389000000000e+01 | 1.521389000000000e+01 | 7.610000000000001e-05 | 0.000000000000000e+00 | PASS |
eps_diff spectrum tot | 1.023934000000000e+01 | 1.024100000000000e+01 | 5.120000000000000e-03 | -1.659999999999329e-03 | PASS |
Petersilka spectrum x | 2.605148000000000e-01 | 2.605148000000000e-01 | 1.300000000000000e-06 | 0.000000000000000e+00 | PASS |
Petersilka spectrum y | 2.348781000000000e+01 | 2.348781000000000e+01 | 1.170000000000000e-04 | 0.000000000000000e+00 | PASS |
Petersilka spectrum z | 2.348781000000000e+01 | 2.348781000000000e+01 | 1.170000000000000e-04 | 0.000000000000000e+00 | PASS |
Petersilka spectrum tot | 1.574538000000000e+01 | 1.574538000000000e+01 | 7.870000000000000e-05 | 0.000000000000000e+00 | PASS |
Casida spectrum x | 6.740964000000000e-01 | 6.740964000000000e-01 | 3.370000000000000e-06 | 0.000000000000000e+00 | PASS |
Casida spectrum y | 1.419940000000000e+01 | 1.419944000000000e+01 | 7.100000000000000e-05 | -3.999999999848569e-05 | PASS |
Casida spectrum z | 1.419940000000000e+01 | 1.419944000000000e+01 | 7.100000000000000e-05 | -3.999999999848569e-05 | PASS |
Casida spectrum tot | 9.690968000000000e+00 | 9.690990000000001e+00 | 4.850000000000000e-05 | -2.200000000129876e-05 | PASS |
CV(2) spectrum x | 4.808010000000000e-01 | 4.808010000000000e-01 | 2.400000000000000e-05 | 0.000000000000000e+00 | PASS |
CV(2) spectrum y | 1.181190000000000e+00 | 1.181211000000000e+00 | 2.370000000000000e-05 | -2.100000000004876e-05 | PASS |
CV(2) spectrum z | 1.181191000000000e+00 | 1.181212000000000e+00 | 2.310000000000000e-05 | -2.099999999982671e-05 | PASS |
CV(2) spectrum tot | 9.477274000000000e-01 | 9.477416000000000e-01 | 1.570000000000000e-05 | -1.419999999996424e-05 | PASS |
Tamm-Dancoff spectrum x | 6.050210000000000e-01 | 6.050210000000000e-01 | 3.030000000000000e-05 | 0.000000000000000e+00 | PASS |
Tamm-Dancoff spectrum y | 1.213953000000000e+01 | 1.213955000000000e+01 | 6.070000000000000e-05 | -1.999999999924285e-05 | PASS |
Tamm-Dancoff spectrum z | 1.213953000000000e+01 | 1.213955000000000e+01 | 6.070000000000000e-05 | -1.999999999924285e-05 | PASS |
Tamm-Dancoff spectrum tot | 8.294696000000000e+00 | 8.294709000000001e+00 | 1.540000000000000e-05 | -1.300000000092894e-05 | PASS |