Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465752e+01 -1.351387940465781e+01 5.000000000000000e-13 2.913225216616411e-13 PASS
Energy [step 52] -1.351350086579628e+01 -1.351350086579652e+01 5.000000000000000e-13 2.398081733190338e-13 PASS
Multipoles [step 0] -1.149397326408002e-16 0.000000000000000e+00 1.000000000000000e-15 -1.149397326408002e-16 PASS
Multipoles [step 52] -3.793333093246166e-03 -3.793333093268998e-03 1.000000000000000e-13 2.283156302906875e-14 PASS
Compare to other inputs