Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Run foss-mpi-min: [foss2022a-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 -8.881784197001252e-15 PASS
Multipoles [step 0] -3.493322574569732e-16 -8.908015926463452e-16 4.090000000000000e-15 5.414693351893720e-16 PASS
Multipoles [step 20] -1.265509664058023e-01 -1.265509664058046e-01 4.850000000000000e-15 2.331468351712829e-15 PASS
Compare to other inputs