Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 33d6ac8cf4b1bb64a184ce827fe707f4bd721fa7 > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167129e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.285638262515931e-13 PASS
Energy [step 50] -1.261322168663082e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.237854842718662e-14 PASS
Energy [step 100] -1.261322168663112e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.123545700920658e-13 PASS
Energy [step 150] -1.261322168663141e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.409983241273949e-13 PASS
Energy [step 200] -1.261322168663171e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.705302565824240e-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