Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit c1843387c3c25bf42356cee40f04165a0aff5f6f > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766764e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] -1.210472335159887e-15 0.000000000000000e+00 5.100000000000000e-15 -1.210472335159887e-15 PASS
Multipoles [step 20] -1.265533510652027e-01 -1.265533510652042e-01 5.100000000000000e-15 1.554312234475219e-15 PASS
Compare to other inputs