Input 01-cosh_2e_1d.02-td.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167142e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.418865025470950e-13 PASS
Energy [step 50] -1.261322168663098e+00 -1.261322168663000e+00 1.000000000000000e-04 -9.814371537686384e-14 PASS
Energy [step 100] -1.261322168663123e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.225686219186173e-13 PASS
Energy [step 150] -1.261322168663150e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.498801083243961e-13 PASS
Energy [step 200] -1.261322168663182e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.820765760385257e-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