Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167130e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.296740492762183e-13 PASS
Energy [step 50] -1.261322168663087e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.726352973553730e-14 PASS
Energy [step 100] -1.261322168663111e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.108002578575906e-13 PASS
Energy [step 150] -1.261322168663138e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.378896996584444e-13 PASS
Energy [step 200] -1.261322168663171e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.711963903971991e-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