Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_cmake: [foss2022a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167128e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.281197370417431e-13 PASS
Energy [step 50] -1.261322168663082e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.149037000748649e-14 PASS
Energy [step 100] -1.261322168663114e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.139088823265411e-13 PASS
Energy [step 150] -1.261322168663144e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.434408147815702e-13 PASS
Energy [step 200] -1.261322168663170e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.698641227676490e-13 PASS
Density matrix [step 50] 8.223000000000000e-01 8.223000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix [step 100] 8.215000000000000e-01 8.215000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix [step 150] 8.210000000000000e-01 8.210000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix [step 200] 8.206000000000000e-01 8.206000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Compare to other inputs