Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run cmake_foss_2022a_full_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167133e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.327826737451687e-13 PASS
Energy [step 50] -1.261322168663086e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.615330671091215e-14 PASS
Energy [step 100] -1.261322168663110e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.096900348329655e-13 PASS
Energy [step 150] -1.261322168663138e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.383337888682945e-13 PASS
Energy [step 200] -1.261322168663168e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.678657213233237e-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