Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167119e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.187938636348917e-13 PASS
Energy [step 50] -1.261322168663076e+00 -1.261322168663000e+00 1.000000000000000e-04 -7.549516567451064e-14 PASS
Energy [step 100] -1.261322168663105e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.045830089196897e-13 PASS
Energy [step 150] -1.261322168663134e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.338928967697939e-13 PASS
Energy [step 200] -1.261322168663161e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.605382493607976e-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