Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run foss-ppc: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167106e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.063593657590900e-13 PASS
Energy [step 50] -1.261322168663061e+00 -1.261322168663000e+00 1.000000000000000e-04 -6.084022174945858e-14 PASS
Energy [step 100] -1.261322168663085e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.526512829121202e-14 PASS
Energy [step 150] -1.261322168663115e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.147970607462412e-13 PASS
Energy [step 200] -1.261322168663147e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.465494392505207e-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