Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run foss-mpi-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 20] -1.060637353666431e+01 -1.060637353666430e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] 2.600884046707105e-15 -8.908015926463452e-16 4.090000000000000e-15 3.491685639353450e-15 PASS
Multipoles [step 20] -1.265509664058022e-01 -1.265509664058046e-01 4.850000000000000e-15 2.442490654175344e-15 PASS
Compare to other inputs