Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167127e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.272315586220429e-13 | PASS |
| Energy [step 50] | -1.261322168663079e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -7.926992395823618e-14 | PASS |
| Energy [step 100] | -1.261322168663116e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.154631945610163e-13 | PASS |
| Energy [step 150] | -1.261322168663142e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.421085471520200e-13 | PASS |
| Energy [step 200] | -1.261322168663168e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.676436767183986e-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 |