Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run foss-mpi-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167125e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.252331571777177e-13 PASS
Energy [step 50] -1.261322168663084e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.371081605673680e-14 PASS
Energy [step 100] -1.261322168663112e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.116884362772907e-13 PASS
Energy [step 150] -1.261322168663140e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.396660564978447e-13 PASS
Energy [step 200] -1.261322168663170e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.703082119774990e-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