Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -2.486899575160351e-14 PASS
Energy [step 20] -1.060637353666431e+01 -1.060637353666430e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] 1.085916512960639e-15 6.744248104320451e-16 4.500000000000000e-15 4.114917025285934e-16 PASS
Multipoles [step 20] -1.265509664058019e-01 -1.265509664058023e-01 2.600000000000000e-15 4.440892098500626e-16 PASS
Compare to other inputs