Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167109e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.092459456231154e-13 | PASS |
| Energy [step 50] | -1.261322168663061e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -6.106226635438361e-14 | PASS |
| Energy [step 100] | -1.261322168663086e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.615330671091215e-14 | PASS |
| Energy [step 150] | -1.261322168663117e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.170175067954915e-13 | PASS |
| Energy [step 200] | -1.261322168663148e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.481037514849959e-13 | PASS |
| Density matrix [step 50] | 8.223000000000000e-01 | 8.223000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 100] | 8.215000000000000e-01 | 8.215000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 150] | 8.210000000000000e-01 | 8.210000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 200] | 8.206000000000000e-01 | 8.206000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |