Input 05-time_propagation.06-td_fast_md.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177381e+01 | -3.791009280177380e+01 | 1.900000000000000e-12 | -1.421085471520200e-14 | PASS |
| Energy [step 5] | -3.790974154516923e+01 | -3.790974154516920e+01 | 2.000000000000000e-13 | -2.842170943040401e-14 | PASS |
| Energy [step 10] | -3.790950309455616e+01 | -3.790950309455620e+01 | 1.900000000000000e-12 | 3.552713678800501e-14 | PASS |
| Energy [step 15] | -3.790933797735689e+01 | -3.790933797735690e+01 | 1.900000000000000e-12 | 7.105427357601002e-15 | PASS |
| Energy [step 20] | -3.790917483206940e+01 | -3.790917483206940e+01 | 1.900000000000000e-12 | -7.105427357601002e-15 | PASS |
| Forces [step 1] | -1.422367890290266e-02 | -1.422367890292098e-02 | 3.190000000000000e-14 | 1.832214935326704e-14 | PASS |
| Forces [step 5] | -7.618874990407143e-03 | -7.618874990413800e-03 | 4.420000000000000e-14 | 6.657001339060997e-15 | PASS |
| Forces [step 10] | -9.391687584800801e-03 | -9.391687584811126e-03 | 3.720000000000000e-14 | 1.032507412901396e-14 | PASS |
| Forces [step 15] | -1.049280232292138e-02 | -1.049280232292293e-02 | 3.980000000000000e-14 | 1.550842787523266e-15 | PASS |
| Forces [step 20] | -9.513371027080719e-03 | -9.513371027100001e-03 | 4.760000000000000e-12 | 1.928145143548221e-14 | PASS |