Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.776356839400250e-14 PASS
Energy [step 20] -1.060634982716858e+01 -1.060634982716860e+01 5.300000000000000e-13 2.486899575160351e-14 PASS
Multipoles [step 0] -1.499409971184029e-15 6.744248104320451e-16 4.500000000000000e-15 -2.173834781616074e-15 PASS
Multipoles [step 20] -1.265513823311271e-01 -1.265513823311230e-01 6.140000000000000e-15 -4.052314039881821e-15 PASS
Compare to other inputs