Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run intel_omp_autotools: [intel2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167141e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.407762795224698e-13 PASS
Energy [step 50] -1.261322168663095e+00 -1.261322168663000e+00 1.000000000000000e-04 -9.481304630298837e-14 PASS
Energy [step 100] -1.261322168663123e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.227906665235423e-13 PASS
Energy [step 150] -1.261322168663150e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.503241975342462e-13 PASS
Energy [step 200] -1.261322168663183e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.831867990631508e-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