Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2023a_mpi_min

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465762e+01 -1.351387940465781e+01 5.000000000000000e-13 1.918465386552271e-13 PASS
Energy [step 52] -1.351350086579631e+01 -1.351350086579652e+01 5.000000000000000e-13 2.149391775674303e-13 PASS
Multipoles [step 0] -1.164682210741679e-16 0.000000000000000e+00 1.000000000000000e-15 -1.164682210741679e-16 PASS
Multipoles [step 52] -3.793333093266880e-03 -3.793333093268998e-03 1.000000000000000e-13 2.118097364167681e-15 PASS
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