Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405789e+01 -1.351350309405791e+01 3.000000000000000e-13 2.131628207280301e-14 PASS
Energy [step 103] -1.351351009473382e+01 -1.351351009473370e+01 4.500000000000000e-13 -1.225686219186173e-13 PASS
Multipoles [step 83] 6.218975444061750e-04 6.218975443429170e-04 3.000000000000000e-13 6.325799259410125e-14 PASS
Multipoles [step 103] 3.990050594283264e-03 3.990050594276555e-03 3.000000000000000e-13 6.709043043340301e-15 PASS
Compare to other inputs