Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2023a_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] 1.202167271979748e-15 6.744248104320451e-16 4.500000000000000e-15 5.277424615477032e-16 PASS
Multipoles [step 20] -1.265513823311266e-01 -1.265513823311230e-01 6.700000000000000e-15 -3.552713678800501e-15 PASS
Compare to other inputs