Input 07-octopus_basics-time_dependent_propagation.01-gs.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_min_autotools: [foss2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-02 | 0.000000000000000e+00 | PASS |
Total Energy | -2.188704886500000e+02 | -2.188700363200000e+02 | 4.980000000000000e-04 | -4.523300000016661e-04 | PASS |