Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.197442310920451e-14 PASS
Energy [step 20] -1.060634982716858e+01 -1.060634982716860e+01 5.300000000000000e-13 1.598721155460225e-14 PASS
Multipoles [step 0] 3.535882524274836e-16 6.744248104320451e-16 4.500000000000000e-15 -3.208365580045615e-16 PASS
Multipoles [step 20] -1.265513823311246e-01 -1.265513823311230e-01 6.700000000000000e-15 -1.554312234475219e-15 PASS
Compare to other inputs