Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405776e+01 -1.351350309405791e+01 3.000000000000000e-13 1.474376176702208e-13 PASS
Energy [step 103] -1.351351009473362e+01 -1.351351009473370e+01 4.500000000000000e-13 7.993605777301127e-14 PASS
Multipoles [step 83] 6.218975442168033e-04 6.218975443429170e-04 3.000000000000000e-13 -1.261137461822104e-13 PASS
Multipoles [step 103] 3.990050594171853e-03 3.990050594276555e-03 3.000000000000000e-13 -1.047027048395321e-13 PASS
Compare to other inputs