Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cmake_mpi_min: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -2.664535259100376e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Multipoles [step 0] -2.703875026709244e-15 0.000000000000000e+00 5.000000000000000e-15 -2.703875026709244e-15 PASS
Multipoles [step 20] -1.265533510652029e-01 -1.265533510652018e-01 3.540000000000000e-15 -1.082467449009528e-15 PASS
Compare to other inputs