Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766764e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -3.552713678800501e-14 | PASS |
| Energy [step 20] | -1.060637353666431e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Multipoles [step 0] | 5.050326611988690e-16 | 6.744248104320451e-16 | 4.500000000000000e-15 | -1.693921492331761e-16 | PASS |
| Multipoles [step 20] | -1.265509664058023e-01 | -1.265509664058023e-01 | 4.920000000000000e-15 | -2.775557561562891e-17 | PASS |