Input 01-cosh_2e_1d.02-td.inp

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167119e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.192379528447418e-13 PASS
Energy [step 50] -1.261322168663076e+00 -1.261322168663000e+00 1.000000000000000e-04 -7.549516567451064e-14 PASS
Energy [step 100] -1.261322168663105e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.045830089196897e-13 PASS
Energy [step 150] -1.261322168663134e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.343369859796439e-13 PASS
Energy [step 200] -1.261322168663161e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.609823385706477e-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