Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167127e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.272315586220429e-13 PASS
Energy [step 50] -1.261322168663079e+00 -1.261322168663000e+00 1.000000000000000e-04 -7.926992395823618e-14 PASS
Energy [step 100] -1.261322168663116e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.154631945610163e-13 PASS
Energy [step 150] -1.261322168663142e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.421085471520200e-13 PASS
Energy [step 200] -1.261322168663168e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.676436767183986e-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