Input 01-cosh_2e_1d.02-td.inp

Commits > Commit f2f698c8a25f386898063905e7c5eb25847969e0 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167130e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.298960938811433e-13 PASS
Energy [step 50] -1.261322168663083e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.326672684688674e-14 PASS
Energy [step 100] -1.261322168663110e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.101341240428155e-13 PASS
Energy [step 150] -1.261322168663138e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.378896996584444e-13 PASS
Energy [step 200] -1.261322168663170e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.700861673725740e-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