Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run cmake_foss_2022a_full_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465755e+01 -1.351387940465781e+01 5.000000000000000e-13 2.557953848736361e-13 PASS
Energy [step 52] -1.351350086579634e+01 -1.351350086579652e+01 5.000000000000000e-13 1.794120407794253e-13 PASS
Multipoles [step 0] -3.041944913112202e-16 0.000000000000000e+00 1.000000000000000e-15 -3.041944913112202e-16 PASS
Multipoles [step 52] -3.793333093258216e-03 -3.793333093268998e-03 1.000000000000000e-13 1.078174008406485e-14 PASS
Compare to other inputs