Input 01-cosh_2e_1d.02-td.inp

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Run foss_min_autotools: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167131e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.307842723008434e-13 PASS
Energy [step 50] -1.261322168663084e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.393286066166183e-14 PASS
Energy [step 100] -1.261322168663111e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.110223024625157e-13 PASS
Energy [step 150] -1.261322168663137e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.372235658436693e-13 PASS
Energy [step 200] -1.261322168663169e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.687538997430238e-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