Input 01-cosh_2e_1d.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167120e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.199040866595169e-13 PASS
Energy [step 50] -1.261322168663075e+00 -1.261322168663000e+00 1.000000000000000e-04 -7.527312106958561e-14 PASS
Energy [step 100] -1.261322168663104e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.043609643147647e-13 PASS
Energy [step 150] -1.261322168663134e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.334488075599438e-13 PASS
Energy [step 200] -1.261322168663161e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.609823385706477e-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