Input 01-cosh_2e_1d.02-td.inp

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Run intel-2022a_omp_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167138e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.383337888682945e-13 PASS
Energy [step 50] -1.261322168663095e+00 -1.261322168663000e+00 1.000000000000000e-04 -9.525713551283843e-14 PASS
Energy [step 100] -1.261322168663124e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.241229341530925e-13 PASS
Energy [step 150] -1.261322168663153e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.525446435834965e-13 PASS
Energy [step 200] -1.261322168663182e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.818545314336006e-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