Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167125e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.252331571777177e-13 | PASS |
| Energy [step 50] | -1.261322168663084e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.371081605673680e-14 | PASS |
| Energy [step 100] | -1.261322168663112e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.116884362772907e-13 | PASS |
| Energy [step 150] | -1.261322168663140e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.396660564978447e-13 | PASS |
| Energy [step 200] | -1.261322168663170e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.703082119774990e-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 |