Input 01-casida.09-spectrum.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| eps_diff spectrum x | 2.902348000000000e-01 | 2.902348000000000e-01 | 1.450000000000000e-06 | 0.000000000000000e+00 | PASS |
| eps_diff spectrum y | 1.521638000000000e+01 | 1.521638000000000e+01 | 7.610000000000000e-10 | 0.000000000000000e+00 | PASS |
| eps_diff spectrum z | 1.521638000000000e+01 | 1.521638000000000e+01 | 7.610000000000000e-10 | 0.000000000000000e+00 | PASS |
| eps_diff spectrum tot | 1.024100000000000e+01 | 1.024100000000000e+01 | 5.120000000000000e-03 | 0.000000000000000e+00 | PASS |
| Petersilka spectrum x | 2.605062000000000e-01 | 2.605062000000000e-01 | 1.300000000000000e-06 | 0.000000000000000e+00 | PASS |
| Petersilka spectrum y | 2.349590000000000e+01 | 2.349590000000000e+01 | 1.170000000000000e-03 | 0.000000000000000e+00 | PASS |
| Petersilka spectrum z | 2.349590000000000e+01 | 2.349590000000000e+01 | 1.170000000000000e-03 | 0.000000000000000e+00 | PASS |
| Petersilka spectrum tot | 1.575077000000000e+01 | 1.575077000000000e+01 | 7.880000000000000e-05 | 0.000000000000000e+00 | PASS |
| Casida spectrum x | 6.741672000000000e-01 | 6.741672000000000e-01 | 3.370000000000000e-06 | 0.000000000000000e+00 | PASS |
| Casida spectrum y | 1.420296000000000e+01 | 1.420298000000000e+01 | 7.100000000000000e-05 | -2.000000000279556e-05 | PASS |
| Casida spectrum z | 1.420296000000000e+01 | 1.420298000000000e+01 | 7.100000000000000e-05 | -2.000000000279556e-05 | PASS |
| Casida spectrum tot | 9.693360999999999e+00 | 9.693374000000000e+00 | 4.850000000000000e-05 | -1.300000000092894e-05 | PASS |
| CV(2) spectrum x | 4.808631000000000e-01 | 4.808631000000000e-01 | 2.400000000000000e-06 | 0.000000000000000e+00 | PASS |
| CV(2) spectrum y | 1.181142000000000e+00 | 1.181154000000000e+00 | 2.370000000000000e-05 | -1.200000000012302e-05 | PASS |
| CV(2) spectrum z | 1.181143000000000e+00 | 1.181155000000000e+00 | 2.420000000000000e-05 | -1.199999999990098e-05 | PASS |
| CV(2) spectrum tot | 9.477160000000000e-01 | 9.477242000000000e-01 | 1.580000000000000e-05 | -8.200000000013752e-06 | PASS |
| Tamm-Dancoff spectrum x | 6.050901000000000e-01 | 6.050901000000000e-01 | 3.030000000000000e-06 | 0.000000000000000e+00 | PASS |
| Tamm-Dancoff spectrum y | 1.214062000000000e+01 | 1.214063000000000e+01 | 6.070000000000000e-05 | -9.999999999621423e-06 | PASS |
| Tamm-Dancoff spectrum z | 1.214062000000000e+01 | 1.214063000000000e+01 | 6.070000000000000e-05 | -9.999999999621423e-06 | PASS |
| Tamm-Dancoff spectrum tot | 8.295441000000000e+00 | 8.295448000000000e+00 | 4.150000000000000e-05 | -7.000000000090267e-06 | PASS |