Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405765e+01 -1.351350309405791e+01 3.000000000000000e-13 2.575717417130363e-13 PASS
Energy [step 103] -1.351351009473343e+01 -1.351351009473370e+01 4.500000000000000e-13 2.664535259100376e-13 PASS
Multipoles [step 83] 6.218975445716387e-04 6.218975443429170e-04 3.000000000000000e-13 2.287216640042833e-13 PASS
Multipoles [step 103] 3.990050594492734e-03 3.990050594276555e-03 3.000000000000000e-13 2.161786374910157e-13 PASS
Compare to other inputs