Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167128e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.274536032269680e-13 PASS
Energy [step 50] -1.261322168663085e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.459899447643693e-14 PASS
Energy [step 100] -1.261322168663111e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.110223024625157e-13 PASS
Energy [step 150] -1.261322168663142e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.416644579421700e-13 PASS
Energy [step 200] -1.261322168663169e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.691979889528739e-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