Input 01-cosh_2e_1d.02-td.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run intel-serial: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167142e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.414424133372449e-13 PASS
Energy [step 50] -1.261322168663097e+00 -1.261322168663000e+00 1.000000000000000e-04 -9.703349235223868e-14 PASS
Energy [step 100] -1.261322168663122e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.216804434989172e-13 PASS
Energy [step 150] -1.261322168663151e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.507682867440963e-13 PASS
Energy [step 200] -1.261322168663182e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.820765760385257e-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