Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run cmake_foss_2022a_full_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405779e+01 -1.351350309405791e+01 3.000000000000000e-13 1.190159082398168e-13 PASS
Energy [step 103] -1.351351009473360e+01 -1.351351009473370e+01 4.500000000000000e-13 1.030286966852145e-13 PASS
Multipoles [step 83] 6.218975442481705e-04 6.218975443429170e-04 3.000000000000000e-13 -9.474658470981501e-14 PASS
Multipoles [step 103] 3.990050594195263e-03 3.990050594276555e-03 3.000000000000000e-13 -8.129261153122513e-14 PASS
Compare to other inputs