Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run spack_foss-2023a_mpi_opt

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
Compare to other inputs