Input 01-cosh_2e_1d.02-td.inp

Commits > Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c > Run foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167125e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.245670233629426e-13 PASS
Energy [step 50] -1.261322168663078e+00 -1.261322168663000e+00 1.000000000000000e-04 -7.838174553853605e-14 PASS
Energy [step 100] -1.261322168663107e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.070254995738651e-13 PASS
Energy [step 150] -1.261322168663133e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.325606291402437e-13 PASS
Energy [step 200] -1.261322168663161e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.605382493607976e-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