Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167099e+00 -1.271322167167000e+00 1.000000000000000e-04 -9.858780458671390e-14 PASS
Energy [step 50] -1.261322168663054e+00 -1.261322168663000e+00 1.000000000000000e-04 -5.395683899678261e-14 PASS
Energy [step 100] -1.261322168663083e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.326672684688674e-14 PASS
Energy [step 150] -1.261322168663113e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.127986593019159e-13 PASS
Energy [step 200] -1.261322168663142e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.421085471520200e-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