Input 01-cosh_2e_1d.02-td.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167139e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.387778780781446e-13 PASS
Energy [step 50] -1.261322168663095e+00 -1.261322168663000e+00 1.000000000000000e-04 -9.503509090791340e-14 PASS
Energy [step 100] -1.261322168663123e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.227906665235423e-13 PASS
Energy [step 150] -1.261322168663152e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.521005543736464e-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