Input 05-time_propagation.06-td_fast_md.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177388e+01 | -3.791009280177380e+01 | 1.900000000000000e-12 | -7.815970093361102e-14 | PASS |
| Energy [step 5] | -3.790974154516931e+01 | -3.790974154516920e+01 | 2.000000000000000e-13 | -1.136868377216160e-13 | PASS |
| Energy [step 10] | -3.790950309455624e+01 | -3.790950309455620e+01 | 1.900000000000000e-12 | -3.552713678800501e-14 | PASS |
| Energy [step 15] | -3.790933797735698e+01 | -3.790933797735690e+01 | 1.900000000000000e-12 | -7.815970093361102e-14 | PASS |
| Energy [step 20] | -3.790917483206944e+01 | -3.790917483206940e+01 | 1.900000000000000e-12 | -4.263256414560601e-14 | PASS |
| Forces [step 1] | -1.422367890292464e-02 | -1.422367890290800e-02 | 2.910000000000000e-14 | -1.664120230504551e-14 | PASS |
| Forces [step 5] | -7.618874990432012e-03 | -7.618874990413800e-03 | 2.500000000000000e-14 | -1.821199441254251e-14 | PASS |
| Forces [step 10] | -9.391687584827890e-03 | -9.391687584811126e-03 | 2.300000000000000e-14 | -1.676436767183986e-14 | PASS |
| Forces [step 15] | -1.049280232294536e-02 | -1.049280232292293e-02 | 2.660000000000000e-14 | -2.242997454438012e-14 | PASS |
| Forces [step 20] | -9.513371027105366e-03 | -9.513371027100001e-03 | 4.760000000000000e-12 | -5.365499711196264e-15 | PASS |