Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run eb_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167127e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.267874694121929e-13 PASS
Energy [step 50] -1.261322168663084e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.348877145181177e-14 PASS
Energy [step 100] -1.261322168663112e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.123545700920658e-13 PASS
Energy [step 150] -1.261322168663140e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.398881011027697e-13 PASS
Energy [step 200] -1.261322168663169e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.694200335577989e-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