Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167124e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.241229341530925e-13 PASS
Energy [step 50] -1.261322168663078e+00 -1.261322168663000e+00 1.000000000000000e-04 -7.815970093361102e-14 PASS
Energy [step 100] -1.261322168663103e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.030286966852145e-13 PASS
Energy [step 150] -1.261322168663133e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.332267629550188e-13 PASS
Energy [step 200] -1.261322168663162e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.620925615952729e-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