Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167099e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -9.858780458671390e-14 | PASS |
| Energy [step 50] | -1.261322168663054e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -5.395683899678261e-14 | PASS |
| Energy [step 100] | -1.261322168663083e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.326672684688674e-14 | PASS |
| Energy [step 150] | -1.261322168663113e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.127986593019159e-13 | PASS |
| Energy [step 200] | -1.261322168663142e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.421085471520200e-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 |